2-methyl-N-[(3-methylphenyl)methyl]pyrimidine-5-carboxamide

C14H15N3O — CID 90099980

IUPAC2-methyl-N-[(3-methylphenyl)methyl]pyrimidine-5-carboxamide
SMILESCc1cccc(CNC(=O)c2cnc(C)nc2)c1
InChIInChI=1S/C14H15N3O/c1-10-4-3-5-12(6-10)7-17-14(18)13-8-15-11(2)16-9-13/h3-6,8-9H,7H2,1-2H3,(H,17,18)
InChIKeyGEOCIJZVNYSZRT-UHFFFAOYSA-N
MW241.29 g/mol
LogP2.02
Rot. Bonds3

About 2-methyl-N-[(3-methylphenyl)methyl]pyrimidine-5-carboxamide

2-methyl-N-[(3-methylphenyl)methyl]pyrimidine-5-carboxamide (PubChem CID 90099980) 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-5-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[(3-methylphenyl)methyl]pyrimidine-5-carboxamide
PubChem CID90099980
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC Name2-methyl-N-[(3-methylphenyl)methyl]pyrimidine-5-carboxamide
SMILESCc1cccc(CNC(=O)c2cnc(C)nc2)c1
InChIInChI=1S/C14H15N3O/c1-10-4-3-5-12(6-10)7-17-14(18)13-8-15-11(2)16-9-13/h3-6,8-9H,7H2,1-2H3,(H,17,18)
InChIKeyGEOCIJZVNYSZRT-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

N-[(3-methylphenyl)methyl]pyrimidine-5-carboxamide
CID 110850770
2-(2-methylanilino)-N-[(3-methylphenyl)methyl]pyrimidine-5-carboxamide
CID 109255853
2-[(4-fluorophenyl)methylamino]-N-[(3-methylphenyl)methyl]pyrimidine-5-carboxamide
CID 109255808
2-(4-acetylpiperazin-1-yl)-N-[(3-methylphenyl)methyl]pyrimidine-5-carboxamide
CID 109254741
N-[(4-methoxyphenyl)methyl]-2-[(3-methylphenyl)methylamino]pyrimidine-5-carboxamide
CID 109255947
N-[(3-methylphenyl)methyl]-2-(1-phenylethylamino)pyrimidine-5-carboxamide
CID 109255805
N-[(3-methylphenyl)methyl]-2-(4-propan-2-ylanilino)pyrimidine-5-carboxamide
CID 109255870
3,4-dichloro-N-[(3-methylphenyl)methyl]benzamide
CID 38295590
4-N,6-N-bis[(3-methylphenyl)methyl]pyrimidine-4,6-dicarboxamide
CID 5289109
4-(hydroxymethyl)-N-[(3-methylphenyl)methyl]benzamide
CID 134067704
2-(2,4-dichloroanilino)-N-[(3-methylphenyl)methyl]pyrimidine-5-carboxamide
CID 109255924
5-carbamothioyl-N-[(3-methylphenyl)methyl]pyridine-2-carboxamide
CID 63748833

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(3-methylphenyl)methyl]pyrimidine-5-carboxamide?
The IUPAC name of 2-methyl-N-[(3-methylphenyl)methyl]pyrimidine-5-carboxamide (CID 90099980) is 2-methyl-N-[(3-methylphenyl)methyl]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-methyl-N-[(3-methylphenyl)methyl]pyrimidine-5-carboxamide?
The canonical SMILES for 2-methyl-N-[(3-methylphenyl)methyl]pyrimidine-5-carboxamide is Cc1cccc(CNC(=O)c2cnc(C)nc2)c1.
What is the InChIKey of 2-methyl-N-[(3-methylphenyl)methyl]pyrimidine-5-carboxamide?
The InChIKey is GEOCIJZVNYSZRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O/c1-10-4-3-5-12(6-10)7-17-14(18)13-8-15-11(2)16-9-13/h3-6,8-9H,7H2,1-2H3,(H,17,18).
What are the key properties of 2-methyl-N-[(3-methylphenyl)methyl]pyrimidine-5-carboxamide?
2-methyl-N-[(3-methylphenyl)methyl]pyrimidine-5-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-5-carboxamide is sourced from PubChem (CID 90099980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).