2-[2-(4-chlorophenyl)-6-oxo-1H-pyrimidin-5-yl]-N-(2-methylpropyl)acetamide

C16H18ClN3O2 — CID 92648829

IUPAC2-[2-(4-chlorophenyl)-6-oxo-1H-pyrimidin-5-yl]-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)Cc1cnc(-c2ccc(Cl)cc2)[nH]c1=O
InChIInChI=1S/C16H18ClN3O2/c1-10(2)8-18-14(21)7-12-9-19-15(20-16(12)22)11-3-5-13(17)6-4-11/h3-6,9-10H,7-8H2,1-2H3,(H,18,21)(H,19,20,22)
InChIKeyAQLXIZODQYZLGZ-UHFFFAOYSA-N
MW319.79 g/mol
LogP2.40
Rot. Bonds5

About 2-[2-(4-chlorophenyl)-6-oxo-1H-pyrimidin-5-yl]-N-(2-methylpropyl)acetamide

2-[2-(4-chlorophenyl)-6-oxo-1H-pyrimidin-5-yl]-N-(2-methylpropyl)acetamide (PubChem CID 92648829) has the molecular formula C16H18ClN3O2 and a molecular weight of 319.79 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)-6-oxo-1H-pyrimidin-5-yl]-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)-6-oxo-1H-pyrimidin-5-yl]-N-(2-methylpropyl)acetamide
PubChem CID92648829
Molecular FormulaC16H18ClN3O2
Molecular Weight319.79 g/mol
Exact Mass319.11
IUPAC Name2-[2-(4-chlorophenyl)-6-oxo-1H-pyrimidin-5-yl]-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)Cc1cnc(-c2ccc(Cl)cc2)[nH]c1=O
InChIInChI=1S/C16H18ClN3O2/c1-10(2)8-18-14(21)7-12-9-19-15(20-16(12)22)11-3-5-13(17)6-4-11/h3-6,9-10H,7-8H2,1-2H3,(H,18,21)(H,19,20,22)
InChIKeyAQLXIZODQYZLGZ-UHFFFAOYSA-N
XLogP2.40
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.79
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(4-chlorophenyl)-6-oxo-1H-pyrimidin-5-yl]-N-[(1R)-1-phenylethyl]acetamide
CID 92648849
2-[2-(4-chlorophenyl)-6-oxo-1H-pyrimidin-5-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 92648857
2-[2-(4-chlorophenyl)-6-oxo-1H-pyrimidin-5-yl]-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide
CID 92649000
2-[2-(4-chlorophenyl)-6-oxo-1H-pyrimidin-5-yl]-N-[(2R)-4-phenylbutan-2-yl]acetamide
CID 92648982
2-[2-(4-chlorophenyl)-6-oxo-1H-pyrimidin-5-yl]-N-(2,6-diethylphenyl)acetamide
CID 92648967
2-[2-(4-chlorophenyl)-6-oxo-1H-pyrimidin-5-yl]-N-(4-iodophenyl)acetamide
CID 92648884
methyl 2-[[2-(4-chlorophenyl)-6-oxo-1H-pyrimidine-5-carbonyl]amino]-4-methylpentanoate
CID 108799277
2-[2-(4-chlorophenyl)-6-oxo-1H-pyrimidin-5-yl]-N-(2-phenoxyphenyl)acetamide
CID 92648971
2-[2-(4-chlorophenyl)-6-oxo-1H-pyrimidin-5-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 92648916
2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-N-(2-methylpropyl)acetamide
CID 32978171
2-[[2-(4-chlorophenyl)-6-oxo-1H-pyrimidine-5-carbonyl]amino]-2-methylbutanoic acid
CID 108799274
2-(4-chlorophenyl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-6-oxo-1H-pyrimidine-5-carboxamide
CID 108809636

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenyl)-6-oxo-1H-pyrimidin-5-yl]-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-[2-(4-chlorophenyl)-6-oxo-1H-pyrimidin-5-yl]-N-(2-methylpropyl)acetamide (CID 92648829) is 2-[2-(4-chlorophenyl)-6-oxo-1H-pyrimidin-5-yl]-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-[2-(4-chlorophenyl)-6-oxo-1H-pyrimidin-5-yl]-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-[2-(4-chlorophenyl)-6-oxo-1H-pyrimidin-5-yl]-N-(2-methylpropyl)acetamide is CC(C)CNC(=O)Cc1cnc(-c2ccc(Cl)cc2)[nH]c1=O.
What is the InChIKey of 2-[2-(4-chlorophenyl)-6-oxo-1H-pyrimidin-5-yl]-N-(2-methylpropyl)acetamide?
The InChIKey is AQLXIZODQYZLGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O2/c1-10(2)8-18-14(21)7-12-9-19-15(20-16(12)22)11-3-5-13(17)6-4-11/h3-6,9-10H,7-8H2,1-2H3,(H,18,21)(H,19,20,22).
What are the key properties of 2-[2-(4-chlorophenyl)-6-oxo-1H-pyrimidin-5-yl]-N-(2-methylpropyl)acetamide?
2-[2-(4-chlorophenyl)-6-oxo-1H-pyrimidin-5-yl]-N-(2-methylpropyl)acetamide has a molecular weight of 319.79 g/mol, XLogP of 2.40, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenyl)-6-oxo-1H-pyrimidin-5-yl]-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 92648829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).