2-(N-methylanilino)-N-[(4-methylphenyl)methyl]pyrimidine-5-carboxamide

C20H20N4O — CID 109256126

IUPAC2-(N-methylanilino)-N-[(4-methylphenyl)methyl]pyrimidine-5-carboxamide
SMILESCc1ccc(CNC(=O)c2cnc(N(C)c3ccccc3)nc2)cc1
InChIInChI=1S/C20H20N4O/c1-15-8-10-16(11-9-15)12-21-19(25)17-13-22-20(23-14-17)24(2)18-6-4-3-5-7-18/h3-11,13-14H,12H2,1-2H3,(H,21,25)
InChIKeyAITJNWSCTBVHNO-UHFFFAOYSA-N
MW332.41 g/mol
LogP3.48
Rot. Bonds5

About 2-(N-methylanilino)-N-[(4-methylphenyl)methyl]pyrimidine-5-carboxamide

2-(N-methylanilino)-N-[(4-methylphenyl)methyl]pyrimidine-5-carboxamide (PubChem CID 109256126) has the molecular formula C20H20N4O and a molecular weight of 332.41 g/mol. Its IUPAC name is 2-(N-methylanilino)-N-[(4-methylphenyl)methyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(N-methylanilino)-N-[(4-methylphenyl)methyl]pyrimidine-5-carboxamide
PubChem CID109256126
Molecular FormulaC20H20N4O
Molecular Weight332.41 g/mol
Exact Mass332.16
IUPAC Name2-(N-methylanilino)-N-[(4-methylphenyl)methyl]pyrimidine-5-carboxamide
SMILESCc1ccc(CNC(=O)c2cnc(N(C)c3ccccc3)nc2)cc1
InChIInChI=1S/C20H20N4O/c1-15-8-10-16(11-9-15)12-21-19(25)17-13-22-20(23-14-17)24(2)18-6-4-3-5-7-18/h3-11,13-14H,12H2,1-2H3,(H,21,25)
InChIKeyAITJNWSCTBVHNO-UHFFFAOYSA-N
XLogP3.48
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-chlorophenyl)methyl]-2-(N-methylanilino)pyrimidine-5-carboxamide
CID 109257611
N-[(4-fluorophenyl)methyl]-2-(N-methylanilino)pyrimidine-5-carboxamide
CID 109257175
2-(N-ethylanilino)-N-[(4-methylphenyl)methyl]pyrimidine-5-carboxamide
CID 109256137
2-(N-ethylanilino)-N-[(4-methoxyphenyl)methyl]pyrimidine-5-carboxamide
CID 109258023
N-[(4-methylphenyl)methyl]-4-[methyl(phenyl)sulfamoyl]benzamide
CID 4801142
N-[(4-methylphenyl)methyl]-2-(2-phenylethylamino)pyrimidine-5-carboxamide
CID 109256088
2-[benzyl(methyl)amino]-N-[(4-methoxyphenyl)methyl]pyrimidine-5-carboxamide
CID 109256748
N-[(4-methylphenyl)methyl]-4-phenylbenzamide
CID 1228171
5-N-ethyl-3-N-[(4-methylphenyl)methyl]-5-N-phenylpyridine-3,5-dicarboxamide
CID 109105299
4-(dimethylamino)-N-[(4-methylphenyl)methyl]benzamide
CID 669457
2-[(4-methoxyphenyl)methylamino]-N-[(4-methylphenyl)methyl]pyrimidine-5-carboxamide
CID 109256082
2-(2,6-dimethylanilino)-N-[(4-methylphenyl)methyl]pyrimidine-5-carboxamide
CID 109256133

Frequently Asked Questions

What is the IUPAC name of 2-(N-methylanilino)-N-[(4-methylphenyl)methyl]pyrimidine-5-carboxamide?
The IUPAC name of 2-(N-methylanilino)-N-[(4-methylphenyl)methyl]pyrimidine-5-carboxamide (CID 109256126) is 2-(N-methylanilino)-N-[(4-methylphenyl)methyl]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(N-methylanilino)-N-[(4-methylphenyl)methyl]pyrimidine-5-carboxamide?
The canonical SMILES for 2-(N-methylanilino)-N-[(4-methylphenyl)methyl]pyrimidine-5-carboxamide is Cc1ccc(CNC(=O)c2cnc(N(C)c3ccccc3)nc2)cc1.
What is the InChIKey of 2-(N-methylanilino)-N-[(4-methylphenyl)methyl]pyrimidine-5-carboxamide?
The InChIKey is AITJNWSCTBVHNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O/c1-15-8-10-16(11-9-15)12-21-19(25)17-13-22-20(23-14-17)24(2)18-6-4-3-5-7-18/h3-11,13-14H,12H2,1-2H3,(H,21,25).
What are the key properties of 2-(N-methylanilino)-N-[(4-methylphenyl)methyl]pyrimidine-5-carboxamide?
2-(N-methylanilino)-N-[(4-methylphenyl)methyl]pyrimidine-5-carboxamide has a molecular weight of 332.41 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-methylanilino)-N-[(4-methylphenyl)methyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 109256126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).