4-(2-methylphenyl)-4-oxo-N-pyrimidin-2-ylbutanamide

C15H15N3O2 — CID 110676274

IUPAC4-(2-methylphenyl)-4-oxo-N-pyrimidin-2-ylbutanamide
SMILESCc1ccccc1C(=O)CCC(=O)Nc1ncccn1
InChIInChI=1S/C15H15N3O2/c1-11-5-2-3-6-12(11)13(19)7-8-14(20)18-15-16-9-4-10-17-15/h2-6,9-10H,7-8H2,1H3,(H,16,17,18,20)
InChIKeyZMRRCJHPAKOSPU-UHFFFAOYSA-N
MW269.30 g/mol
LogP2.39
Rot. Bonds5

About 4-(2-methylphenyl)-4-oxo-N-pyrimidin-2-ylbutanamide

4-(2-methylphenyl)-4-oxo-N-pyrimidin-2-ylbutanamide (PubChem CID 110676274) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is 4-(2-methylphenyl)-4-oxo-N-pyrimidin-2-ylbutanamide.

Molecular Properties

Compound Name4-(2-methylphenyl)-4-oxo-N-pyrimidin-2-ylbutanamide
PubChem CID110676274
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC Name4-(2-methylphenyl)-4-oxo-N-pyrimidin-2-ylbutanamide
SMILESCc1ccccc1C(=O)CCC(=O)Nc1ncccn1
InChIInChI=1S/C15H15N3O2/c1-11-5-2-3-6-12(11)13(19)7-8-14(20)18-15-16-9-4-10-17-15/h2-6,9-10H,7-8H2,1H3,(H,16,17,18,20)
InChIKeyZMRRCJHPAKOSPU-UHFFFAOYSA-N
XLogP2.39
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-methylphenyl)-N-(2-methyl-4-pyridinyl)-4-oxobutanamide
CID 110676277
methyl 4-oxo-4-(pyrimidin-2-ylamino)butanoate
CID 110756659
2-methyl-N-(pyrimidin-2-ylcarbamothioyl)benzamide
CID 802099
N-(2-methyl-1,3-benzoxazol-7-yl)-4-(2-methylphenyl)-4-oxobutanamide
CID 110417896
4-(2,5-dimethylthiophen-3-yl)-N-(3-methyl-2-pyridinyl)-4-oxobutanamide
CID 18107073
N-(2,5-dimethoxyphenyl)-4-(2-methylphenyl)-4-oxobutanamide
CID 110422934
3-(3-methyl-2-oxoquinolin-1-yl)-N-pyrimidin-2-ylpropanamide
CID 110680287
N-(2,4-dimethoxyphenyl)-4-(2-methylphenyl)-4-oxobutanamide
CID 110423070
5-methyl-1-(2-methylphenyl)hexane-1,4-dione
CID 58283906
1-(2-methylphenyl)-2-pyrimidin-2-ylsulfanylethanone
CID 43802511
4-(2,5-dimethylphenyl)-N-(4-methyl-2-pyridinyl)-4-oxobutanamide
CID 24538133
2-phenyl-N-pyrimidin-2-ylacetamide
CID 3423290

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylphenyl)-4-oxo-N-pyrimidin-2-ylbutanamide?
The IUPAC name of 4-(2-methylphenyl)-4-oxo-N-pyrimidin-2-ylbutanamide (CID 110676274) is 4-(2-methylphenyl)-4-oxo-N-pyrimidin-2-ylbutanamide.
What is the SMILES notation for 4-(2-methylphenyl)-4-oxo-N-pyrimidin-2-ylbutanamide?
The canonical SMILES for 4-(2-methylphenyl)-4-oxo-N-pyrimidin-2-ylbutanamide is Cc1ccccc1C(=O)CCC(=O)Nc1ncccn1.
What is the InChIKey of 4-(2-methylphenyl)-4-oxo-N-pyrimidin-2-ylbutanamide?
The InChIKey is ZMRRCJHPAKOSPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2/c1-11-5-2-3-6-12(11)13(19)7-8-14(20)18-15-16-9-4-10-17-15/h2-6,9-10H,7-8H2,1H3,(H,16,17,18,20).
What are the key properties of 4-(2-methylphenyl)-4-oxo-N-pyrimidin-2-ylbutanamide?
4-(2-methylphenyl)-4-oxo-N-pyrimidin-2-ylbutanamide has a molecular weight of 269.30 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylphenyl)-4-oxo-N-pyrimidin-2-ylbutanamide is sourced from PubChem (CID 110676274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).