N-(4-amino-2-chlorophenyl)-2-(4-methyl-6-oxopyrimidin-1-yl)acetamide

C13H13ClN4O2 — CID 61224163

IUPACN-(4-amino-2-chlorophenyl)-2-(4-methyl-6-oxopyrimidin-1-yl)acetamide
SMILESCc1cc(=O)n(CC(=O)Nc2ccc(N)cc2Cl)cn1
InChIInChI=1S/C13H13ClN4O2/c1-8-4-13(20)18(7-16-8)6-12(19)17-11-3-2-9(15)5-10(11)14/h2-5,7H,6,15H2,1H3,(H,17,19)
InChIKeyQJPUSDINAGCDHZ-UHFFFAOYSA-N
MW292.73 g/mol
LogP1.43
Rot. Bonds3

About N-(4-amino-2-chlorophenyl)-2-(4-methyl-6-oxopyrimidin-1-yl)acetamide

N-(4-amino-2-chlorophenyl)-2-(4-methyl-6-oxopyrimidin-1-yl)acetamide (PubChem CID 61224163) has the molecular formula C13H13ClN4O2 and a molecular weight of 292.73 g/mol. Its IUPAC name is N-(4-amino-2-chlorophenyl)-2-(4-methyl-6-oxopyrimidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-amino-2-chlorophenyl)-2-(4-methyl-6-oxopyrimidin-1-yl)acetamide
PubChem CID61224163
Molecular FormulaC13H13ClN4O2
Molecular Weight292.73 g/mol
Exact Mass292.07
IUPAC NameN-(4-amino-2-chlorophenyl)-2-(4-methyl-6-oxopyrimidin-1-yl)acetamide
SMILESCc1cc(=O)n(CC(=O)Nc2ccc(N)cc2Cl)cn1
InChIInChI=1S/C13H13ClN4O2/c1-8-4-13(20)18(7-16-8)6-12(19)17-11-3-2-9(15)5-10(11)14/h2-5,7H,6,15H2,1H3,(H,17,19)
InChIKeyQJPUSDINAGCDHZ-UHFFFAOYSA-N
XLogP1.43
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.73
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(2-amino-4-chlorophenyl)-2-(4-methyl-6-oxopyrimidin-1-yl)acetamide
CID 61227111
N-(4-chloro-3-nitrophenyl)-2-(4-methyl-6-oxopyrimidin-1-yl)acetamide
CID 121064065
2-(4-methyl-6-oxopyrimidin-1-yl)-N-(1,2-oxazol-3-yl)acetamide
CID 121064043
N-(5-methyl-1,2-oxazol-3-yl)-2-(4-methyl-6-oxopyrimidin-1-yl)acetamide
CID 121064039
N-(4-amino-2-chlorophenyl)-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetamide
CID 63558183
N-(5-amino-2-methylphenyl)-2-(6-oxopyrimidin-1-yl)acetamide
CID 63769504
N-(4-amino-2-methylphenyl)-2-(4-methyl-2-oxo-1-pyridinyl)acetamide
CID 62962656
N-(2,4-dimethoxypyrimidin-5-yl)-2-(4-methyl-6-oxopyrimidin-1-yl)acetamide
CID 122304166
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(4-methyl-6-oxopyrimidin-1-yl)acetamide
CID 154583574
N-(2-chlorophenyl)-2-[4-(4-chlorophenyl)-6-oxopyrimidin-1-yl]acetamide
CID 30935880
N-(2-chloro-4-methylphenyl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 7874794
N-(4-amino-2-chlorophenyl)-4-[ethyl(methyl)amino]butanamide
CID 43262963

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-chlorophenyl)-2-(4-methyl-6-oxopyrimidin-1-yl)acetamide?
The IUPAC name of N-(4-amino-2-chlorophenyl)-2-(4-methyl-6-oxopyrimidin-1-yl)acetamide (CID 61224163) is N-(4-amino-2-chlorophenyl)-2-(4-methyl-6-oxopyrimidin-1-yl)acetamide.
What is the SMILES notation for N-(4-amino-2-chlorophenyl)-2-(4-methyl-6-oxopyrimidin-1-yl)acetamide?
The canonical SMILES for N-(4-amino-2-chlorophenyl)-2-(4-methyl-6-oxopyrimidin-1-yl)acetamide is Cc1cc(=O)n(CC(=O)Nc2ccc(N)cc2Cl)cn1.
What is the InChIKey of N-(4-amino-2-chlorophenyl)-2-(4-methyl-6-oxopyrimidin-1-yl)acetamide?
The InChIKey is QJPUSDINAGCDHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN4O2/c1-8-4-13(20)18(7-16-8)6-12(19)17-11-3-2-9(15)5-10(11)14/h2-5,7H,6,15H2,1H3,(H,17,19).
What are the key properties of N-(4-amino-2-chlorophenyl)-2-(4-methyl-6-oxopyrimidin-1-yl)acetamide?
N-(4-amino-2-chlorophenyl)-2-(4-methyl-6-oxopyrimidin-1-yl)acetamide has a molecular weight of 292.73 g/mol, XLogP of 1.43, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-chlorophenyl)-2-(4-methyl-6-oxopyrimidin-1-yl)acetamide is sourced from PubChem (CID 61224163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).