Cas no 876516-52-8 (5-Pyrimidinecarboxylicacid, 4-amino-2-(propylamino)-)
876516-52-8 structure
Product Name:5-Pyrimidinecarboxylicacid, 4-amino-2-(propylamino)-
CAS No:876516-52-8
MF:C8H12N4O2
MW:196.206480979919
CID:709966
PubChem ID:23130780
Update Time:2025-04-19
5-Pyrimidinecarboxylicacid, 4-amino-2-(propylamino)- Chemical and Physical Properties
Names and Identifiers
-
- 5-Pyrimidinecarboxylicacid, 4-amino-2-(propylamino)-
- 4-amino-2-(propylamino)pyrimidine-5-carboxylic acid
- 5-Pyrimidinecarboxylic acid, 4-amino-2-(propylamino)- (9CI)
- 876516-52-8
- SCHEMBL1680472
- DTXSID70630858
- 4-amino-2-(propylamino)pyrimidine-5-carboxylicacid
-
- Inchi: 1S/C8H12N4O2/c1-2-3-10-8-11-4-5(7(13)14)6(9)12-8/h4H,2-3H2,1H3,(H,13,14)(H3,9,10,11,12)
- InChI Key: PYXQZZMXKMRDGE-UHFFFAOYSA-N
- SMILES: OC(C1C=NC(=NC=1N)NCCC)=O
Computed Properties
- Exact Mass: 196.09602564g/mol
- Monoisotopic Mass: 196.09602564g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 14
- Rotatable Bond Count: 4
- Complexity: 200
- 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
- Surface Charge: 0
- Tautomer Count: 12
- XLogP3: 1.1
- Topological Polar Surface Area: 101?2
5-Pyrimidinecarboxylicacid, 4-amino-2-(propylamino)- Related Literature
-
Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
-
Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
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Brindha J.,Balamurali M. M.,Kaushik Chanda RSC Adv., 2019,9, 34720-34734
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