N-(2,4-dimethylphenyl)-6-methyl-2-(N-methylanilino)pyrimidine-4-carboxamide

C21H22N4O — CID 109335215

IUPACN-(2,4-dimethylphenyl)-6-methyl-2-(N-methylanilino)pyrimidine-4-carboxamide
SMILESCc1ccc(NC(=O)c2cc(C)nc(N(C)c3ccccc3)n2)c(C)c1
InChIInChI=1S/C21H22N4O/c1-14-10-11-18(15(2)12-14)23-20(26)19-13-16(3)22-21(24-19)25(4)17-8-6-5-7-9-17/h5-13H,1-4H3,(H,23,26)
InChIKeySZGOBAUFHSHHBP-UHFFFAOYSA-N
MW346.43 g/mol
LogP4.42
Rot. Bonds4

About N-(2,4-dimethylphenyl)-6-methyl-2-(N-methylanilino)pyrimidine-4-carboxamide

N-(2,4-dimethylphenyl)-6-methyl-2-(N-methylanilino)pyrimidine-4-carboxamide (PubChem CID 109335215) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-6-methyl-2-(N-methylanilino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-6-methyl-2-(N-methylanilino)pyrimidine-4-carboxamide
PubChem CID109335215
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC NameN-(2,4-dimethylphenyl)-6-methyl-2-(N-methylanilino)pyrimidine-4-carboxamide
SMILESCc1ccc(NC(=O)c2cc(C)nc(N(C)c3ccccc3)n2)c(C)c1
InChIInChI=1S/C21H22N4O/c1-14-10-11-18(15(2)12-14)23-20(26)19-13-16(3)22-21(24-19)25(4)17-8-6-5-7-9-17/h5-13H,1-4H3,(H,23,26)
InChIKeySZGOBAUFHSHHBP-UHFFFAOYSA-N
XLogP4.42
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-methyl-2-(N-methylanilino)-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 109334971
2-[benzyl(ethyl)amino]-N-(2,4-dimethylphenyl)-6-methylpyrimidine-4-carboxamide
CID 109329498
2-chloro-N-(2,4-dimethylphenyl)-6-methylpyrimidine-4-carboxamide
CID 114219413
N-(2,4-dimethylphenyl)-4,6-dimethylpyridine-2-carboxamide
CID 19224341
6-methyl-2-(N-methylanilino)-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109327712
N-(2-methoxyethyl)-6-methyl-2-(N-methylanilino)pyrimidine-4-carboxamide
CID 109323750
2-(diethylamino)-6-methyl-N-(2-methylphenyl)pyrimidine-4-carboxamide
CID 109332221
6-(dimethylamino)-N-(2,4-dimethylphenyl)pyridine-2-carboxamide
CID 84575312
N-(2,4-dimethylphenyl)-2-(N-ethylanilino)pyrimidine-5-carboxamide
CID 109266377
N-(5-chloro-2-methylphenyl)-2-(N-methylanilino)pyrimidine-4-carboxamide
CID 109314210
2-(N-ethylanilino)-N-(2-fluorophenyl)-6-methylpyrimidine-4-carboxamide
CID 109336352
2-(4-acetylpiperazin-1-yl)-N-(2,4-dimethylphenyl)-6-methylpyrimidine-4-carboxamide
CID 109326599

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-6-methyl-2-(N-methylanilino)pyrimidine-4-carboxamide?
The IUPAC name of N-(2,4-dimethylphenyl)-6-methyl-2-(N-methylanilino)pyrimidine-4-carboxamide (CID 109335215) is N-(2,4-dimethylphenyl)-6-methyl-2-(N-methylanilino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-6-methyl-2-(N-methylanilino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-6-methyl-2-(N-methylanilino)pyrimidine-4-carboxamide is Cc1ccc(NC(=O)c2cc(C)nc(N(C)c3ccccc3)n2)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-6-methyl-2-(N-methylanilino)pyrimidine-4-carboxamide?
The InChIKey is SZGOBAUFHSHHBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O/c1-14-10-11-18(15(2)12-14)23-20(26)19-13-16(3)22-21(24-19)25(4)17-8-6-5-7-9-17/h5-13H,1-4H3,(H,23,26).
What are the key properties of N-(2,4-dimethylphenyl)-6-methyl-2-(N-methylanilino)pyrimidine-4-carboxamide?
N-(2,4-dimethylphenyl)-6-methyl-2-(N-methylanilino)pyrimidine-4-carboxamide has a molecular weight of 346.43 g/mol, XLogP of 4.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-6-methyl-2-(N-methylanilino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109335215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).