2-(4-methylanilino)-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide

C21H22N4O — CID 109314007

IUPAC2-(4-methylanilino)-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide
SMILESCc1ccc(Nc2nccc(C(=O)Nc3ccccc3C(C)C)n2)cc1
InChIInChI=1S/C21H22N4O/c1-14(2)17-6-4-5-7-18(17)24-20(26)19-12-13-22-21(25-19)23-16-10-8-15(3)9-11-16/h4-14H,1-3H3,(H,24,26)(H,22,23,25)
InChIKeyGRHSTFAMCXEPNY-UHFFFAOYSA-N
MW346.43 g/mol
LogP4.90
Rot. Bonds5

About 2-(4-methylanilino)-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide

2-(4-methylanilino)-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide (PubChem CID 109314007) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is 2-(4-methylanilino)-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(4-methylanilino)-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide
PubChem CID109314007
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC Name2-(4-methylanilino)-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide
SMILESCc1ccc(Nc2nccc(C(=O)Nc3ccccc3C(C)C)n2)cc1
InChIInChI=1S/C21H22N4O/c1-14(2)17-6-4-5-7-18(17)24-20(26)19-12-13-22-21(25-19)23-16-10-8-15(3)9-11-16/h4-14H,1-3H3,(H,24,26)(H,22,23,25)
InChIKeyGRHSTFAMCXEPNY-UHFFFAOYSA-N
XLogP4.90
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetamidophenyl)-2-(2-propan-2-ylanilino)pyrimidine-4-carboxamide
CID 109316027
N-(2-methoxyphenyl)-2-(4-methylanilino)pyrimidine-4-carboxamide
CID 109314028
2-anilino-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109313398
2-(2-cyanoanilino)-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 109316079
2-(4-methylanilino)-N-quinolin-8-ylpyrimidine-4-carboxamide
CID 109314065
methyl 4-[[2-(2-propan-2-ylanilino)pyrimidine-4-carbonyl]amino]benzoate
CID 109316030
2-[(2-methylphenyl)methylamino]-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 109303969
methyl 2-[[2-(4-propan-2-ylanilino)pyrimidine-4-carbonyl]amino]benzoate
CID 109316110
N-(4-fluorophenyl)-2-(4-methylanilino)pyrimidine-4-carboxamide
CID 109314014
2-[(2-chlorophenyl)methylamino]-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 109305794
N-(2-chlorophenyl)-2-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide
CID 109316775
2-(3,5-dimethylanilino)-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109314095

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylanilino)-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-(4-methylanilino)-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide (CID 109314007) is 2-(4-methylanilino)-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(4-methylanilino)-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-(4-methylanilino)-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide is Cc1ccc(Nc2nccc(C(=O)Nc3ccccc3C(C)C)n2)cc1.
What is the InChIKey of 2-(4-methylanilino)-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide?
The InChIKey is GRHSTFAMCXEPNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O/c1-14(2)17-6-4-5-7-18(17)24-20(26)19-12-13-22-21(25-19)23-16-10-8-15(3)9-11-16/h4-14H,1-3H3,(H,24,26)(H,22,23,25).
What are the key properties of 2-(4-methylanilino)-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide?
2-(4-methylanilino)-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide has a molecular weight of 346.43 g/mol, XLogP of 4.90, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylanilino)-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109314007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).