Cas no 155831-94-0 (4(1H)-Pyrimidinone,2,3-dihydro-2-imino-)
155831-94-0 structure
Product Name:4(1H)-Pyrimidinone,2,3-dihydro-2-imino-
CAS No:155831-94-0
MF:C4H5N3O
MW:111.101999998093
CID:107165
PubChem ID:66950
Update Time:2025-04-18
4(1H)-Pyrimidinone,2,3-dihydro-2-imino- Chemical and Physical Properties
Names and Identifiers
-
- 4(1H)-Pyrimidinone,2,3-dihydro-2-imino-
- 4(1H)-Pyrimidinone, 2,3-dihydro-2-imino- (9CI)
- 145358-63-0
- 155831-92-8
- 2-Amino-4-hydroxypyrimidine
- 2-Imino-6-pyrimidinon
- 4-Pyrimidinol, 2-amino- (9CI)
- AI3-52238
- SB57721
- InChI=1/C4H5N3O/c5-4-6-2-1-3(8)7-4/h1-2H,(H3,5,6,7,8
- 4-Pyrimidinol, 2,3-dihydro-2-imino- (9CI)
- CS-W002272
- DTXSID00148350
- 107646-85-5
- 4(3H)-Pyrimidinone, 2-amino-
- 4(1H)-Pyrimidinone, 2,3-dihydro-2-imino-, (E)- (9CI)
- CHEBI:55502
- 4(1H)-Pyrimidinone, 2-amino-
- Isocytosine (VAN)
- W-200787
- 176773-00-5
- SB10360
- MFCD00057557
- 2-AMINO-3,4-DIHYDROPYRIMIDIN-4-ONE
- 674-97-5
- 2-Amino-4(1H)-pyrimidinone
- 2-aminopyrimidin-4-ol
- 4-Pyrimidinol, 1,2-dihydro-2-imino- (9CI)
- 4(1H)-Pyrimidinone, 2,3-dihydro-2-imino-, (Z)- (9CI)
- SCHEMBL8852643
- 4-Pyrimidinol, 2,3-dihydro-2-imino-, (Z)- (9CI)
- DS-0256
- 4(1H)-Pyrimidinone,2,3-dihydro-2-imino-,(E)-(9ci)
- AM20080033
- Epitope ID:119698
- NS00015768
- EN300-64686
- Q10859790
- 2-Amino-4-pyrimdinol
- NSC49118
- AC-907/25004299
- AKOS016034248
- 107646-87-7
- SCHEMBL4825
- 4-pyrimidinol,2-amino-
- AKOS010519665
- CS-0166939
- 4-Pyrimidinol, 1,2-dihydro-2-imino-, (Z)- (9CI)
- SY013450
- 2-Amino-3H-pyrimidin-4-one
- PB29007
- 176773-02-7
- 2-amino-1H-pyrimidin-4-one
- 2-aminopyrimidin-4(3H)-one
- 2-Amino-4-hydroxypyrimidine, 2-Aminouracil
- Isocytosine
- 1,4-dihydro-2-amino-4-oxopyrimidine
- I0814
- Iso Cytosine
- FT-0693428
- HY-W002272
- s6256
- MFCD00023256
- 155831-94-0
- H10127
- 4-Pyrimidinol, 2,3-dihydro-2-imino-, (E)- (9CI)
- isocytosin
- 2-Amino-4(1H)-pyrimidinone #
- 4-Pyrimidinol, 2-amino-
- 2-Amino-4-pyrimidol
- CHEMBL56260
- 2-amino-4-pyrimidinol
- 176773-01-6
- BDBM50405230
- 2-Aminouracil
- AKOS015854926
- 155831-93-9
- 100643-25-2
- 2-amino-6-hydroxypyrimidine
- EINECS 203-592-0
- 2-aminopyrimidin-4(1H)-one
- Z801295650
- 2-Amino-4-oxypyrimidine
- Isocytosine, >=99%
- 2-Amino-4-pyrimidone
- NSC-49118
- FT-0602441
- 2-amino-1H-pyrimidin-6-one
- NSC 49118
- 108-53-2
- 2-amino-1,4-dihydropyrimidin-4-one
-
- Inchi： 1S/C4H5N3O/c5-4-6-2-1-3(8)7-4/h1-2H,(H3,5,6,7,8)
- InChI Key： XQCZBXHVTFVIFE-UHFFFAOYSA-N
- SMILES： O=C1C=CN=C(N)N1
Computed Properties
- Exact Mass: 111.04335
- Monoisotopic Mass: 111.043261792g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 8
- Rotatable Bond Count: 0
- Complexity: 170
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -1
- Topological Polar Surface Area: 67.5?2
Experimental Properties
- PSA: 64.98
4(1H)-Pyrimidinone,2,3-dihydro-2-imino- Related Literature
-
Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
-
Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
-
Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
-
Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
-
Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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