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

C20H20N4O — CID 109255853

IUPAC2-(2-methylanilino)-N-[(3-methylphenyl)methyl]pyrimidine-5-carboxamide
SMILESCc1cccc(CNC(=O)c2cnc(Nc3ccccc3C)nc2)c1
InChIInChI=1S/C20H20N4O/c1-14-6-5-8-16(10-14)11-21-19(25)17-12-22-20(23-13-17)24-18-9-4-3-7-15(18)2/h3-10,12-13H,11H2,1-2H3,(H,21,25)(H,22,23,24)
InChIKeyYZPGNSVYQIVRPZ-UHFFFAOYSA-N
MW332.41 g/mol
LogP3.77
Rot. Bonds5

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

2-(2-methylanilino)-N-[(3-methylphenyl)methyl]pyrimidine-5-carboxamide (PubChem CID 109255853) has the molecular formula C20H20N4O and a molecular weight of 332.41 g/mol. Its IUPAC name is 2-(2-methylanilino)-N-[(3-methylphenyl)methyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(2-methylanilino)-N-[(3-methylphenyl)methyl]pyrimidine-5-carboxamide
PubChem CID109255853
Molecular FormulaC20H20N4O
Molecular Weight332.41 g/mol
Exact Mass332.16
IUPAC Name2-(2-methylanilino)-N-[(3-methylphenyl)methyl]pyrimidine-5-carboxamide
SMILESCc1cccc(CNC(=O)c2cnc(Nc3ccccc3C)nc2)c1
InChIInChI=1S/C20H20N4O/c1-14-6-5-8-16(10-14)11-21-19(25)17-12-22-20(23-13-17)24-18-9-4-3-7-15(18)2/h3-10,12-13H,11H2,1-2H3,(H,21,25)(H,22,23,24)
InChIKeyYZPGNSVYQIVRPZ-UHFFFAOYSA-N
XLogP3.77
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,4-dichloroanilino)-N-[(3-methylphenyl)methyl]pyrimidine-5-carboxamide
CID 109255924
2-methyl-N-[(3-methylphenyl)methyl]pyrimidine-5-carboxamide
CID 90099980
2-(2-methylanilino)-N-(3-methylphenyl)pyrimidine-5-carboxamide
CID 109265378
4-N-(2-methylphenyl)-1-N-[(3-methylphenyl)methyl]benzene-1,4-dicarboxamide
CID 109046884
N-[(3-methylphenyl)methyl]-2-(4-propan-2-ylanilino)pyrimidine-5-carboxamide
CID 109255870
N-benzyl-2-(5-chloro-2-methylanilino)pyrimidine-5-carboxamide
CID 109255301
N-(2,3-dimethylphenyl)-2-[(3-methylphenyl)methylamino]pyrimidine-5-carboxamide
CID 109255999
N-[(3-methylphenyl)methyl]-2-(1-phenylethylamino)pyrimidine-5-carboxamide
CID 109255805
2-(2,5-dimethylanilino)-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide
CID 109259146
2-[(4-fluorophenyl)methylamino]-N-[(3-methylphenyl)methyl]pyrimidine-5-carboxamide
CID 109255808
N-[(3-methylphenyl)methyl]pyrimidine-5-carboxamide
CID 110850770
2-(2,6-dimethylanilino)-N-[(4-methylphenyl)methyl]pyrimidine-5-carboxamide
CID 109256133

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylanilino)-N-[(3-methylphenyl)methyl]pyrimidine-5-carboxamide?
The IUPAC name of 2-(2-methylanilino)-N-[(3-methylphenyl)methyl]pyrimidine-5-carboxamide (CID 109255853) is 2-(2-methylanilino)-N-[(3-methylphenyl)methyl]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(2-methylanilino)-N-[(3-methylphenyl)methyl]pyrimidine-5-carboxamide?
The canonical SMILES for 2-(2-methylanilino)-N-[(3-methylphenyl)methyl]pyrimidine-5-carboxamide is Cc1cccc(CNC(=O)c2cnc(Nc3ccccc3C)nc2)c1.
What is the InChIKey of 2-(2-methylanilino)-N-[(3-methylphenyl)methyl]pyrimidine-5-carboxamide?
The InChIKey is YZPGNSVYQIVRPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O/c1-14-6-5-8-16(10-14)11-21-19(25)17-12-22-20(23-13-17)24-18-9-4-3-7-15(18)2/h3-10,12-13H,11H2,1-2H3,(H,21,25)(H,22,23,24).
What are the key properties of 2-(2-methylanilino)-N-[(3-methylphenyl)methyl]pyrimidine-5-carboxamide?
2-(2-methylanilino)-N-[(3-methylphenyl)methyl]pyrimidine-5-carboxamide has a molecular weight of 332.41 g/mol, XLogP of 3.77, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylanilino)-N-[(3-methylphenyl)methyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 109255853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).