2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-6-[4-(3-methylphenyl)piperazin-1-yl]pyrimidine-4-carboxamide

C21H24N6O2 — CID 109373111

IUPAC2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-6-[4-(3-methylphenyl)piperazin-1-yl]pyrimidine-4-carboxamide
SMILESCc1cccc(N2CCN(c3cc(C(=O)Nc4cc(C)on4)nc(C)n3)CC2)c1
InChIInChI=1S/C21H24N6O2/c1-14-5-4-6-17(11-14)26-7-9-27(10-8-26)20-13-18(22-16(3)23-20)21(28)24-19-12-15(2)29-25-19/h4-6,11-13H,7-10H2,1-3H3,(H,24,25,28)
InChIKeyMCYHVSAQTHEOJO-UHFFFAOYSA-N
MW392.46 g/mol
LogP2.97
Rot. Bonds4

About 2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-6-[4-(3-methylphenyl)piperazin-1-yl]pyrimidine-4-carboxamide

2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-6-[4-(3-methylphenyl)piperazin-1-yl]pyrimidine-4-carboxamide (PubChem CID 109373111) has the molecular formula C21H24N6O2 and a molecular weight of 392.46 g/mol. Its IUPAC name is 2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-6-[4-(3-methylphenyl)piperazin-1-yl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-6-[4-(3-methylphenyl)piperazin-1-yl]pyrimidine-4-carboxamide
PubChem CID109373111
Molecular FormulaC21H24N6O2
Molecular Weight392.46 g/mol
Exact Mass392.20
IUPAC Name2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-6-[4-(3-methylphenyl)piperazin-1-yl]pyrimidine-4-carboxamide
SMILESCc1cccc(N2CCN(c3cc(C(=O)Nc4cc(C)on4)nc(C)n3)CC2)c1
InChIInChI=1S/C21H24N6O2/c1-14-5-4-6-17(11-14)26-7-9-27(10-8-26)20-13-18(22-16(3)23-20)21(28)24-19-12-15(2)29-25-19/h4-6,11-13H,7-10H2,1-3H3,(H,24,25,28)
InChIKeyMCYHVSAQTHEOJO-UHFFFAOYSA-N
XLogP2.97
TPSA87.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-6-[4-(3-methylphenyl)piperazin-1-yl]pyrimidine-4-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

N-(5-methyl-1,2-oxazol-3-yl)-6-[4-(3-methylphenyl)piperazin-1-yl]pyridazine-3-carboxamide
CID 109123938
N-(5-methyl-1,2-oxazol-3-yl)-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidine-4-carboxamide
CID 109310359
2-methyl-6-[4-(3-methylphenyl)piperazin-1-yl]-N-propan-2-ylpyrimidine-4-carboxamide
CID 109360632
N-(2-methoxyethyl)-2-methyl-6-[4-(3-methylphenyl)piperazin-1-yl]pyrimidine-4-carboxamide
CID 109364854
2-methyl-6-[4-(3-methylphenyl)piperazin-1-yl]-N-prop-2-enylpyrimidine-4-carboxamide
CID 109361413
N-(5-methyl-1,2-oxazol-3-yl)-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide
CID 35799420
[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 109366897
5-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)pyrazine-2-carboxamide
CID 109289419
2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanyl-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]acetamide
CID 43067045
N-(2,6-dimethylphenyl)-2-methyl-6-morpholin-4-ylpyrimidine-4-carboxamide
CID 109365418
N-tert-butyl-2-methyl-6-(4-phenylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109372607
3-[4-(3-chlorophenyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)-3-oxopropanamide
CID 108950660

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-6-[4-(3-methylphenyl)piperazin-1-yl]pyrimidine-4-carboxamide?
The IUPAC name of 2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-6-[4-(3-methylphenyl)piperazin-1-yl]pyrimidine-4-carboxamide (CID 109373111) is 2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-6-[4-(3-methylphenyl)piperazin-1-yl]pyrimidine-4-carboxamide.
What is the SMILES notation for 2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-6-[4-(3-methylphenyl)piperazin-1-yl]pyrimidine-4-carboxamide?
The canonical SMILES for 2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-6-[4-(3-methylphenyl)piperazin-1-yl]pyrimidine-4-carboxamide is Cc1cccc(N2CCN(c3cc(C(=O)Nc4cc(C)on4)nc(C)n3)CC2)c1.
What is the InChIKey of 2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-6-[4-(3-methylphenyl)piperazin-1-yl]pyrimidine-4-carboxamide?
The InChIKey is MCYHVSAQTHEOJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O2/c1-14-5-4-6-17(11-14)26-7-9-27(10-8-26)20-13-18(22-16(3)23-20)21(28)24-19-12-15(2)29-25-19/h4-6,11-13H,7-10H2,1-3H3,(H,24,25,28).
What are the key properties of 2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-6-[4-(3-methylphenyl)piperazin-1-yl]pyrimidine-4-carboxamide?
2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-6-[4-(3-methylphenyl)piperazin-1-yl]pyrimidine-4-carboxamide has a molecular weight of 392.46 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-6-[4-(3-methylphenyl)piperazin-1-yl]pyrimidine-4-carboxamide is sourced from PubChem (CID 109373111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).