2,4-dimethyl-6-oxo-N-(4-propan-2-ylphenyl)-1H-pyrimidine-5-carboxamide

C16H19N3O2 — CID 136890119

IUPAC2,4-dimethyl-6-oxo-N-(4-propan-2-ylphenyl)-1H-pyrimidine-5-carboxamide
SMILESCc1nc(C)c(C(=O)Nc2ccc(C(C)C)cc2)c(=O)[nH]1
InChIInChI=1S/C16H19N3O2/c1-9(2)12-5-7-13(8-6-12)19-16(21)14-10(3)17-11(4)18-15(14)20/h5-9H,1-4H3,(H,19,21)(H,17,18,20)
InChIKeyPJQYNKVRSLNCAI-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.76
Rot. Bonds3

About 2,4-dimethyl-6-oxo-N-(4-propan-2-ylphenyl)-1H-pyrimidine-5-carboxamide

2,4-dimethyl-6-oxo-N-(4-propan-2-ylphenyl)-1H-pyrimidine-5-carboxamide (PubChem CID 136890119) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 2,4-dimethyl-6-oxo-N-(4-propan-2-ylphenyl)-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2,4-dimethyl-6-oxo-N-(4-propan-2-ylphenyl)-1H-pyrimidine-5-carboxamide
PubChem CID136890119
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name2,4-dimethyl-6-oxo-N-(4-propan-2-ylphenyl)-1H-pyrimidine-5-carboxamide
SMILESCc1nc(C)c(C(=O)Nc2ccc(C(C)C)cc2)c(=O)[nH]1
InChIInChI=1S/C16H19N3O2/c1-9(2)12-5-7-13(8-6-12)19-16(21)14-10(3)17-11(4)18-15(14)20/h5-9H,1-4H3,(H,19,21)(H,17,18,20)
InChIKeyPJQYNKVRSLNCAI-UHFFFAOYSA-N
XLogP2.76
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2,4-dimethyl-6-oxo-N-(4-propan-2-ylphenyl)-1H-pyrimidine-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(4-propan-2-ylphenyl)acetamide
CID 135896922
N-[4-(dimethylamino)phenyl]-2,4-dimethyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 136669948
3-methyl-5-(methylamino)-N-(4-propan-2-ylphenyl)-1,2-thiazole-4-carboxamide
CID 25391715
N-(3-cyanophenyl)-2,4-dimethyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 136669999
4-propan-2-yl-N-(4-propan-2-ylphenyl)benzamide
CID 1406437
1-N,3-N,5-N-tris(4-propan-2-ylphenyl)benzene-1,3,5-tricarboxamide
CID 67992142
6-oxo-N-(4-propan-2-ylphenyl)-1H-pyridine-2-carboxamide
CID 107261448
6-oxo-3,4-diphenyl-N-(4-propan-2-ylphenyl)-1H-pyridazine-5-carboxamide
CID 108790884
2,3-dimethyl-N-(4-propan-2-ylphenyl)pyridine-4-carboxamide
CID 110858169
3-methyl-N-(4-propan-2-ylphenyl)-1,2-oxazole-4-carboxamide
CID 110858115
2-amino-6-methyl-N-(4-propan-2-ylphenyl)benzamide
CID 18069728
2-(4-fluoroanilino)-4-methyl-N-(4-propan-2-ylphenyl)-1,3-thiazole-5-carboxamide
CID 30142215

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-6-oxo-N-(4-propan-2-ylphenyl)-1H-pyrimidine-5-carboxamide?
The IUPAC name of 2,4-dimethyl-6-oxo-N-(4-propan-2-ylphenyl)-1H-pyrimidine-5-carboxamide (CID 136890119) is 2,4-dimethyl-6-oxo-N-(4-propan-2-ylphenyl)-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for 2,4-dimethyl-6-oxo-N-(4-propan-2-ylphenyl)-1H-pyrimidine-5-carboxamide?
The canonical SMILES for 2,4-dimethyl-6-oxo-N-(4-propan-2-ylphenyl)-1H-pyrimidine-5-carboxamide is Cc1nc(C)c(C(=O)Nc2ccc(C(C)C)cc2)c(=O)[nH]1.
What is the InChIKey of 2,4-dimethyl-6-oxo-N-(4-propan-2-ylphenyl)-1H-pyrimidine-5-carboxamide?
The InChIKey is PJQYNKVRSLNCAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-9(2)12-5-7-13(8-6-12)19-16(21)14-10(3)17-11(4)18-15(14)20/h5-9H,1-4H3,(H,19,21)(H,17,18,20).
What are the key properties of 2,4-dimethyl-6-oxo-N-(4-propan-2-ylphenyl)-1H-pyrimidine-5-carboxamide?
2,4-dimethyl-6-oxo-N-(4-propan-2-ylphenyl)-1H-pyrimidine-5-carboxamide has a molecular weight of 285.35 g/mol, XLogP of 2.76, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-6-oxo-N-(4-propan-2-ylphenyl)-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 136890119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).