4-amino-N-(3-chlorophenyl)-1,3-dimethyl-2,6-dioxopyrimidine-5-carboxamide

C13H13ClN4O3 — CID 4792068

IUPAC4-amino-N-(3-chlorophenyl)-1,3-dimethyl-2,6-dioxopyrimidine-5-carboxamide
SMILESCn1c(N)c(C(=O)Nc2cccc(Cl)c2)c(=O)n(C)c1=O
InChIInChI=1S/C13H13ClN4O3/c1-17-10(15)9(12(20)18(2)13(17)21)11(19)16-8-5-3-4-7(14)6-8/h3-6H,15H2,1-2H3,(H,16,19)
InChIKeyWIIFSXQWWSTMOP-UHFFFAOYSA-N
MW308.73 g/mol
LogP0.57
Rot. Bonds2

About 4-amino-N-(3-chlorophenyl)-1,3-dimethyl-2,6-dioxopyrimidine-5-carboxamide

4-amino-N-(3-chlorophenyl)-1,3-dimethyl-2,6-dioxopyrimidine-5-carboxamide (PubChem CID 4792068) has the molecular formula C13H13ClN4O3 and a molecular weight of 308.73 g/mol. Its IUPAC name is 4-amino-N-(3-chlorophenyl)-1,3-dimethyl-2,6-dioxopyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-(3-chlorophenyl)-1,3-dimethyl-2,6-dioxopyrimidine-5-carboxamide
PubChem CID4792068
Molecular FormulaC13H13ClN4O3
Molecular Weight308.73 g/mol
Exact Mass308.07
IUPAC Name4-amino-N-(3-chlorophenyl)-1,3-dimethyl-2,6-dioxopyrimidine-5-carboxamide
SMILESCn1c(N)c(C(=O)Nc2cccc(Cl)c2)c(=O)n(C)c1=O
InChIInChI=1S/C13H13ClN4O3/c1-17-10(15)9(12(20)18(2)13(17)21)11(19)16-8-5-3-4-7(14)6-8/h3-6H,15H2,1-2H3,(H,16,19)
InChIKeyWIIFSXQWWSTMOP-UHFFFAOYSA-N
XLogP0.57
TPSA99.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.73
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

SR1848
CID 3238389
1-(4-Chloro-phenyl)-pyrimidine-2,4,6-trione
CID 2179730
3-(4-chlorophenyl)-6-methyl-2,4(1H,3H)-pyrimidinedione
CID 3454747
1-(3-Chloro-4-methylphenyl)pyrimidine-2,4,6(1H,3H,5H)-trione
CID 6501558
6-(4-Chloro-phenylamino)-1H-pyrimidine-2,4-dione
CID 308646
6-(4-Chloroanilino)-1,3-dimethylpyrimidine-2,4-dione
CID 777117
1-allyl-N-(4-chlorophenyl)-2-oxo-1,2-dihydro-3-pyridinecarboxamide
CID 1486110
5-acetyl-1-(4-chlorophenyl)-2,4(1H,3H)-pyrimidinedione
CID 3619026
N-(3-chlorophenyl)(4-hydroxy-1,6-dimethyl-2-oxo(3-hydropyridyl))carboxamide
CID 54677260
1-(3-Chlorophenyl)-3-(1-propionylpiperidin-4-yl)urea
CID 49783220
6-(4-chloroanilino)-3-methyl-2,4(1H,3H)-pyrimidinedione
CID 777252
N-(3-chlorophenyl)-N'-(2,4-dihydroxypyrimidin-5-yl)urea
CID 22433670

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3-chlorophenyl)-1,3-dimethyl-2,6-dioxopyrimidine-5-carboxamide?
The IUPAC name of 4-amino-N-(3-chlorophenyl)-1,3-dimethyl-2,6-dioxopyrimidine-5-carboxamide (CID 4792068) is 4-amino-N-(3-chlorophenyl)-1,3-dimethyl-2,6-dioxopyrimidine-5-carboxamide.
What is the SMILES notation for 4-amino-N-(3-chlorophenyl)-1,3-dimethyl-2,6-dioxopyrimidine-5-carboxamide?
The canonical SMILES for 4-amino-N-(3-chlorophenyl)-1,3-dimethyl-2,6-dioxopyrimidine-5-carboxamide is Cn1c(N)c(C(=O)Nc2cccc(Cl)c2)c(=O)n(C)c1=O.
What is the InChIKey of 4-amino-N-(3-chlorophenyl)-1,3-dimethyl-2,6-dioxopyrimidine-5-carboxamide?
The InChIKey is WIIFSXQWWSTMOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN4O3/c1-17-10(15)9(12(20)18(2)13(17)21)11(19)16-8-5-3-4-7(14)6-8/h3-6H,15H2,1-2H3,(H,16,19).
What are the key properties of 4-amino-N-(3-chlorophenyl)-1,3-dimethyl-2,6-dioxopyrimidine-5-carboxamide?
4-amino-N-(3-chlorophenyl)-1,3-dimethyl-2,6-dioxopyrimidine-5-carboxamide has a molecular weight of 308.73 g/mol, XLogP of 0.57, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3-chlorophenyl)-1,3-dimethyl-2,6-dioxopyrimidine-5-carboxamide is sourced from PubChem (CID 4792068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).