2-methyl-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide

C14H15N3O — CID 47297279

IUPAC2-methyl-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide
SMILESCc1cccc(CNC(=O)c2ccnc(C)n2)c1
InChIInChI=1S/C14H15N3O/c1-10-4-3-5-12(8-10)9-16-14(18)13-6-7-15-11(2)17-13/h3-8H,9H2,1-2H3,(H,16,18)
InChIKeyZZDMESQVVXJSEF-UHFFFAOYSA-N
MW241.29 g/mol
LogP2.02
Rot. Bonds3

About 2-methyl-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide

2-methyl-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide (PubChem CID 47297279) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is 2-methyl-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide
PubChem CID47297279
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC Name2-methyl-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide
SMILESCc1cccc(CNC(=O)c2ccnc(C)n2)c1
InChIInChI=1S/C14H15N3O/c1-10-4-3-5-12(8-10)9-16-14(18)13-6-7-15-11(2)17-13/h3-8H,9H2,1-2H3,(H,16,18)
InChIKeyZZDMESQVVXJSEF-UHFFFAOYSA-N
XLogP2.02
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-N-[(3-methylphenyl)methyl]-2-N-[(4-methylphenyl)methyl]pyridine-2,6-dicarboxamide
CID 109097409
4-N,6-N-bis[(3-methylphenyl)methyl]pyrimidine-4,6-dicarboxamide
CID 5289109
2-[(4-chlorophenyl)methylamino]-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109304314
2-(furan-2-ylmethylamino)-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109303249
4-(methylamino)-N-[(3-methylphenyl)methyl]pyridine-2-carboxamide
CID 62179336
N-[(3-methylphenyl)methyl]isoquinoline-1-carboxamide
CID 110850819
N-[(3-methylphenyl)methyl]-2-(quinolin-8-ylamino)pyrimidine-4-carboxamide
CID 109304422
6-N,6-N-diethyl-2-N-[(3-methylphenyl)methyl]pyridine-2,6-dicarboxamide
CID 109097429
2-(2-methoxy-5-methylanilino)-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109304398
2-methyl-N-[(3-methylphenyl)methyl]pyrimidine-5-carboxamide
CID 90099980
4-(diethylamino)-N-[(3-methylphenyl)methyl]pyridine-2-carboxamide
CID 109210192
methyl 3-[[4-[(3-methylphenyl)methylcarbamoyl]pyrimidin-2-yl]amino]benzoate
CID 109304412

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide?
The IUPAC name of 2-methyl-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide (CID 47297279) is 2-methyl-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 2-methyl-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide?
The canonical SMILES for 2-methyl-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide is Cc1cccc(CNC(=O)c2ccnc(C)n2)c1.
What is the InChIKey of 2-methyl-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide?
The InChIKey is ZZDMESQVVXJSEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O/c1-10-4-3-5-12(8-10)9-16-14(18)13-6-7-15-11(2)17-13/h3-8H,9H2,1-2H3,(H,16,18).
What are the key properties of 2-methyl-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide?
2-methyl-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide has a molecular weight of 241.29 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 47297279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).