Cas no 69251-45-2 (2-amino-5-(aminomethyl)-3,7-dihydro-4H-Pyrrolo[2,3-d]pyrimidin-4-one)
69251-45-2 structure
Product Name:2-amino-5-(aminomethyl)-3,7-dihydro-4H-Pyrrolo[2,3-d]pyrimidin-4-one
CAS No:69251-45-2
MF:C7H9N5O
MW:179.179260015488
CID:392006
PubChem ID:135398563
Update Time:2025-04-19
2-amino-5-(aminomethyl)-3,7-dihydro-4H-Pyrrolo[2,3-d]pyrimidin-4-one Chemical and Physical Properties
Names and Identifiers
-
- 2-amino-5-(aminomethyl)-3,7-dihydro-4H-Pyrrolo[2,3-d]pyrimidin-4-one
- 2-amino-5-(aminomethyl)-1H,4H,7H-pyrrolo[2,3-d]pyrimidin-4-one
- SCHEMBL20206657
- 2-Amino-5-(aminomethyl)-3H-pyrrolo[2,3-d]pyrimidin-4(7H)-one
- PD039191
- NS00069406
- 2-amino-5-(aminomethyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
- 2-amino-5-(aminomethyl)-1,7-dihydro-4h-pyrrolo[2,3-d]pyrimidin-4-one
- 2-amino-5-(aminomethyl)-3H,4H,7H-pyrrolo[2,3-d]pyrimidin-4-one
- SCHEMBL166747
- 7-DEAZA-7-AMINOMETHYL-GUANINE
- DTXSID301343549
- DB03304
- CHEBI:45126
- 7-Aminomethyl-7-carbaguanine
- 2-amino-5-(aminomethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-ol
- CHEMBL1235432
- Q27120591
- CID 5289204
- preQ1
- 69251-45-2
- 7-aminomethyl-7-deazaguanine
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- Inchi: 1S/C7H9N5O/c8-1-3-2-10-5-4(3)6(13)12-7(9)11-5/h2H,1,8H2,(H4,9,10,11,12,13)
- InChI Key: MEYMBLGOKYDGLZ-UHFFFAOYSA-N
- SMILES: O=C1C2=C(N=C(N)N1)NC=C2CN
Computed Properties
- Exact Mass: 179.08087
- Monoisotopic Mass: 179.08070993g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 1
- Complexity: 264
- 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: -1.9
- Topological Polar Surface Area: 109?2
Experimental Properties
- PSA: 109.29
2-amino-5-(aminomethyl)-3,7-dihydro-4H-Pyrrolo[2,3-d]pyrimidin-4-one Related Literature
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Xue-Ying Wang,Ying Pei,Min Xie,Zi-He Jin,Ya-Shi Xiao,Yang Wang,Li-Na Zhang,Yan Li,Wei-Hua Huang Lab Chip, 2015,15, 1178-1187
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
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Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
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