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1260859-20-8 | 4-Pyrimidinecarboxylic acid, 2,5-diamino-
CAS No: 1260859-20-8 Catalog No: AG000RH5 MDL No:MFCD13193549
Product Description
Catalog Number:
AG000RH5
Chemical Name:
4-Pyrimidinecarboxylic acid, 2,5-diamino-
CAS Number:
1260859-20-8
Molecular Formula:
C5H6N4O2
Molecular Weight:
154.1267
MDL Number:
MFCD13193549
IUPAC Name:
2,5-diaminopyrimidine-4-carboxylic acid
InChI:
InChI=1S/C5H6N4O2/c6-2-1-8-5(7)9-3(2)4(10)11/h1H,6H2,(H,10,11)(H2,7,8,9)
InChI Key:
VTFCPZQIIGNSJU-UHFFFAOYSA-N
SMILES:
Nc1ncc(c(n1)C(=O)O)N
Properties
Complexity:
163
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
154.049g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
154.129g/mol
Monoisotopic Mass:
154.049g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
115A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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