2-amino-4-(4-chloroanilino)-6-oxo-1H-pyrimidine-5-carboxamide

C11H10ClN5O2 — CID 135854192

IUPAC2-amino-4-(4-chloroanilino)-6-oxo-1H-pyrimidine-5-carboxamide
SMILESNC(=O)c1c(Nc2ccc(Cl)cc2)nc(N)[nH]c1=O
InChIInChI=1S/C11H10ClN5O2/c12-5-1-3-6(4-2-5)15-9-7(8(13)18)10(19)17-11(14)16-9/h1-4H,(H2,13,18)(H4,14,15,16,17,19)
InChIKeyBGKUQOUQXSOQTO-UHFFFAOYSA-N
MW279.69 g/mol
LogP0.85
Rot. Bonds3

About 2-amino-4-(4-chloroanilino)-6-oxo-1H-pyrimidine-5-carboxamide

2-amino-4-(4-chloroanilino)-6-oxo-1H-pyrimidine-5-carboxamide (PubChem CID 135854192) has the molecular formula C11H10ClN5O2 and a molecular weight of 279.69 g/mol. Its IUPAC name is 2-amino-4-(4-chloroanilino)-6-oxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-amino-4-(4-chloroanilino)-6-oxo-1H-pyrimidine-5-carboxamide
PubChem CID135854192
Molecular FormulaC11H10ClN5O2
Molecular Weight279.69 g/mol
Exact Mass279.05
IUPAC Name2-amino-4-(4-chloroanilino)-6-oxo-1H-pyrimidine-5-carboxamide
SMILESNC(=O)c1c(Nc2ccc(Cl)cc2)nc(N)[nH]c1=O
InChIInChI=1S/C11H10ClN5O2/c12-5-1-3-6(4-2-5)15-9-7(8(13)18)10(19)17-11(14)16-9/h1-4H,(H2,13,18)(H4,14,15,16,17,19)
InChIKeyBGKUQOUQXSOQTO-UHFFFAOYSA-N
XLogP0.85
TPSA126.89 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.69
LogP ≤ 50.85
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-amino-4-(4-chloroanilino)-6-oxo-1H-pyrimidin-5-yl]formamide
CID 135496583
2,5-diamino-4-anilino-1H-pyrimidin-6-one
CID 135850742
2-amino-6-oxo-4-(4-phenylbutylamino)-1H-pyrimidine-5-carboxamide
CID 135604867
2,5-diamino-4-(3,4-dichloroanilino)-1H-pyrimidin-6-one
CID 135406299
N-(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)-4-chlorobenzamide
CID 66758533
5-amino-2-(4-chloroanilino)pyridine-3-carboxamide
CID 61358006
6-amino-2-(4-chloroanilino)-3H-quinazolin-4-one
CID 136808617
5-(4-chloroanilino)-7H-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-one
CID 135403347
2-amino-4-(4-chloroanilino)-7H-pyrido[3,4-d]pyrimidin-8-one
CID 54613439
acetic acid;(4-chlorophenyl)hydrazine
CID 172727373
methyl 2-amino-5-(4-chlorophenyl)-6-oxo-1H-pyrimidine-4-carboxylate
CID 135499579
2-amino-4-hydroxy-6-oxo-N-phenyl-1H-pyrimidine-5-carboxamide
CID 118313501

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(4-chloroanilino)-6-oxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of 2-amino-4-(4-chloroanilino)-6-oxo-1H-pyrimidine-5-carboxamide (CID 135854192) is 2-amino-4-(4-chloroanilino)-6-oxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for 2-amino-4-(4-chloroanilino)-6-oxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for 2-amino-4-(4-chloroanilino)-6-oxo-1H-pyrimidine-5-carboxamide is NC(=O)c1c(Nc2ccc(Cl)cc2)nc(N)[nH]c1=O.
What is the InChIKey of 2-amino-4-(4-chloroanilino)-6-oxo-1H-pyrimidine-5-carboxamide?
The InChIKey is BGKUQOUQXSOQTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN5O2/c12-5-1-3-6(4-2-5)15-9-7(8(13)18)10(19)17-11(14)16-9/h1-4H,(H2,13,18)(H4,14,15,16,17,19).
What are the key properties of 2-amino-4-(4-chloroanilino)-6-oxo-1H-pyrimidine-5-carboxamide?
2-amino-4-(4-chloroanilino)-6-oxo-1H-pyrimidine-5-carboxamide has a molecular weight of 279.69 g/mol, XLogP of 0.85, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(4-chloroanilino)-6-oxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 135854192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).