6-methyl-N-[(2-methylphenyl)methyl]-2-(2-propan-2-ylanilino)pyrimidine-4-carboxamide

C23H26N4O — CID 109327509

IUPAC6-methyl-N-[(2-methylphenyl)methyl]-2-(2-propan-2-ylanilino)pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)NCc2ccccc2C)nc(Nc2ccccc2C(C)C)n1
InChIInChI=1S/C23H26N4O/c1-15(2)19-11-7-8-12-20(19)26-23-25-17(4)13-21(27-23)22(28)24-14-18-10-6-5-9-16(18)3/h5-13,15H,14H2,1-4H3,(H,24,28)(H,25,26,27)
InChIKeySJZSZXUYLOBKGX-UHFFFAOYSA-N
MW374.49 g/mol
LogP4.89
Rot. Bonds6

About 6-methyl-N-[(2-methylphenyl)methyl]-2-(2-propan-2-ylanilino)pyrimidine-4-carboxamide

6-methyl-N-[(2-methylphenyl)methyl]-2-(2-propan-2-ylanilino)pyrimidine-4-carboxamide (PubChem CID 109327509) has the molecular formula C23H26N4O and a molecular weight of 374.49 g/mol. Its IUPAC name is 6-methyl-N-[(2-methylphenyl)methyl]-2-(2-propan-2-ylanilino)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-methyl-N-[(2-methylphenyl)methyl]-2-(2-propan-2-ylanilino)pyrimidine-4-carboxamide
PubChem CID109327509
Molecular FormulaC23H26N4O
Molecular Weight374.49 g/mol
Exact Mass374.21
IUPAC Name6-methyl-N-[(2-methylphenyl)methyl]-2-(2-propan-2-ylanilino)pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)NCc2ccccc2C)nc(Nc2ccccc2C(C)C)n1
InChIInChI=1S/C23H26N4O/c1-15(2)19-11-7-8-12-20(19)26-23-25-17(4)13-21(27-23)22(28)24-14-18-10-6-5-9-16(18)3/h5-13,15H,14H2,1-4H3,(H,24,28)(H,25,26,27)
InChIKeySJZSZXUYLOBKGX-UHFFFAOYSA-N
XLogP4.89
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-methyl-N-[(2-methylphenyl)methyl]-2-(2-propan-2-ylanilino)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

2-(2-chloroanilino)-6-methyl-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109327516
2-(3-acetamidoanilino)-6-methyl-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109327539
6-methyl-2-(2-methylanilino)-N-(3-methylbutyl)pyrimidine-4-carboxamide
CID 109333204
N-benzyl-2-(2,3-dimethylanilino)-6-methylpyrimidine-4-carboxamide
CID 109327266
6-methyl-N-[(2-methylphenyl)methyl]-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109327463
N-[4-(dimethylamino)phenyl]-6-methyl-2-(2-propan-2-ylanilino)pyrimidine-4-carboxamide
CID 109336503
2-(2-ethylanilino)-6-methyl-N-propylpyrimidine-4-carboxamide
CID 109319157
2-[2-(2-fluorophenyl)ethylamino]-6-methyl-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109327468
N-[(2-methoxyphenyl)methyl]-2-(2-propan-2-ylanilino)pyrimidine-4-carboxamide
CID 109306281
N-(2-ethylphenyl)-6-methyl-2-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109327397
2-[(1,1-dioxothiolan-3-yl)amino]-6-methyl-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109327474
6-methyl-2-(2-methylanilino)-N-pentylpyrimidine-4-carboxamide
CID 109333426

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[(2-methylphenyl)methyl]-2-(2-propan-2-ylanilino)pyrimidine-4-carboxamide?
The IUPAC name of 6-methyl-N-[(2-methylphenyl)methyl]-2-(2-propan-2-ylanilino)pyrimidine-4-carboxamide (CID 109327509) is 6-methyl-N-[(2-methylphenyl)methyl]-2-(2-propan-2-ylanilino)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-methyl-N-[(2-methylphenyl)methyl]-2-(2-propan-2-ylanilino)pyrimidine-4-carboxamide?
The canonical SMILES for 6-methyl-N-[(2-methylphenyl)methyl]-2-(2-propan-2-ylanilino)pyrimidine-4-carboxamide is Cc1cc(C(=O)NCc2ccccc2C)nc(Nc2ccccc2C(C)C)n1.
What is the InChIKey of 6-methyl-N-[(2-methylphenyl)methyl]-2-(2-propan-2-ylanilino)pyrimidine-4-carboxamide?
The InChIKey is SJZSZXUYLOBKGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O/c1-15(2)19-11-7-8-12-20(19)26-23-25-17(4)13-21(27-23)22(28)24-14-18-10-6-5-9-16(18)3/h5-13,15H,14H2,1-4H3,(H,24,28)(H,25,26,27).
What are the key properties of 6-methyl-N-[(2-methylphenyl)methyl]-2-(2-propan-2-ylanilino)pyrimidine-4-carboxamide?
6-methyl-N-[(2-methylphenyl)methyl]-2-(2-propan-2-ylanilino)pyrimidine-4-carboxamide has a molecular weight of 374.49 g/mol, XLogP of 4.89, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[(2-methylphenyl)methyl]-2-(2-propan-2-ylanilino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109327509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).