Cas no 176772-96-6 (4(1H)-Pyrimidinimine,(E)- (9CI))
176772-96-6 structure
Product Name:4(1H)-Pyrimidinimine,(E)- (9CI)
4(1H)-Pyrimidinimine,(E)- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- 4(1H)-Pyrimidinimine,(E)- (9CI)
- 4(1H)-Pyrimidinimine, (E)- (9CI)
- NSC 401236
- BS-3732
- UNII-BU3262X8CZ
- BP-10054
- 4(1H)-Pyrimidinimine (9CI)
- 4-amino-pyrimidine
- GEO-00208
- 4-Amino pyrimidine
- 163133-86-6
- BDBM50354822
- AKOS000505580
- 176773-06-1
- AC-6952
- BCP06825
- 176772-96-6
- 163133-87-7
- NSC-401236
- 4(3H)-Pyrimidinimine, (E)- (9CI)
- Pyrimidine, 4-amino-
- J-524136
- PB11581
- MFCD00006112
- InChI=1/C4H5N3/c5-4-1-2-6-3-7-4/h1-3H,(H2,5,6,7
- 4-Pyrimidinamine
- Pyrimidine, 4-amino-,
- FT-0603719
- F0001-1551
- pyrimidine-4-amine
- 6-Aminopyrimidine
- 4(3H)-Pyrimidinimine
- NSC401236
- A8332
- DTXSID10207841
- Q27117918
- 4(3H)-Pyrimidinimine, (Z)- (9CI)
- EN300-21912
- 4-Aminopyrimidine, 98%
- 4-Pyrimidineamine
- SY006845
- 3,4-Dihydro-4-iminopyrimidine
- CHEBI:38616
- CS-W005460
- 4(3H)-Pyrimidinimine (9CI)
- CHEMBL302453
- 4-Aminopyrimidine
- BU3262X8CZ
- 6-imino-1,6-dihydropyrimidine
- Pyrimidin-4-ylamine
- AM20100438
- 591-54-8
- pyrimidin-4-yl-amine
- WLN: T6N CNJ DZ
- pyrimidin-4-amine
- 176773-07-2
- SB10148
- Pyrimidin-4(1H)-imine
-
- Inchi： 1S/C4H5N3/c5-4-1-2-6-3-7-4/h1-3H,(H2,5,6,7)
- InChI Key： OYRRZWATULMEPF-UHFFFAOYSA-N
- SMILES： N1C=NC=CC=1N
Computed Properties
- Exact Mass: 95.04845
- Monoisotopic Mass: 95.048
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 7
- Rotatable Bond Count: 0
- Complexity: 54.9
- 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: _0.2
- Topological Polar Surface Area: 51.8A^2
Experimental Properties
- PSA: 48.24
4(1H)-Pyrimidinimine,(E)- (9CI) Related Literature
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Jason Wan Lab Chip, 2020,20, 4528-4538
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Eunju Nam,Jiyeon Han,Sunhee Choi,Mi Hee Lim Chem. Commun., 2021,57, 7637-7640
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