N-(2,4-dimethylphenyl)-6-(3-methoxyanilino)-2-methylpyrimidine-4-carboxamide

C21H22N4O2 — CID 112848883

IUPACN-(2,4-dimethylphenyl)-6-(3-methoxyanilino)-2-methylpyrimidine-4-carboxamide
SMILESCOc1cccc(Nc2cc(C(=O)Nc3ccc(C)cc3C)nc(C)n2)c1
InChIInChI=1S/C21H22N4O2/c1-13-8-9-18(14(2)10-13)25-21(26)19-12-20(23-15(3)22-19)24-16-6-5-7-17(11-16)27-4/h5-12H,1-4H3,(H,25,26)(H,22,23,24)
InChIKeyXAEAWCVOAXNRET-UHFFFAOYSA-N
MW362.43 g/mol
LogP4.41
Rot. Bonds5

About N-(2,4-dimethylphenyl)-6-(3-methoxyanilino)-2-methylpyrimidine-4-carboxamide

N-(2,4-dimethylphenyl)-6-(3-methoxyanilino)-2-methylpyrimidine-4-carboxamide (PubChem CID 112848883) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-6-(3-methoxyanilino)-2-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-6-(3-methoxyanilino)-2-methylpyrimidine-4-carboxamide
PubChem CID112848883
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC NameN-(2,4-dimethylphenyl)-6-(3-methoxyanilino)-2-methylpyrimidine-4-carboxamide
SMILESCOc1cccc(Nc2cc(C(=O)Nc3ccc(C)cc3C)nc(C)n2)c1
InChIInChI=1S/C21H22N4O2/c1-13-8-9-18(14(2)10-13)25-21(26)19-12-20(23-15(3)22-19)24-16-6-5-7-17(11-16)27-4/h5-12H,1-4H3,(H,25,26)(H,22,23,24)
InChIKeyXAEAWCVOAXNRET-UHFFFAOYSA-N
XLogP4.41
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(3-methoxyanilino)-N-(3-methoxyphenyl)-2-methylpyrimidine-4-carboxamide
CID 112850479
N-(3-chloro-2-methylphenyl)-6-(3-methoxyanilino)-2-methylpyrimidine-4-carboxamide
CID 112850211
6-(4-methoxyanilino)-N-(3-methoxyphenyl)-2-methylpyrimidine-4-carboxamide
CID 112850511
N-(2,5-dimethoxyphenyl)-6-(2,4-dimethylanilino)-2-methylpyrimidine-4-carboxamide
CID 112848850
6-(3-methoxyanilino)-2-methyl-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109369092
N-(2,5-dimethylphenyl)-6-(3-methoxyanilino)pyrimidine-4-carboxamide
CID 109356884
6-(2,4-dimethylanilino)-N-(2-methoxy-5-methylphenyl)-2-methylpyrimidine-4-carboxamide
CID 112848847
methyl 3-[[6-[(2,5-dimethylphenyl)carbamoyl]-2-methylpyrimidin-4-yl]amino]benzoate
CID 112848978
N-(2,4-dimethylphenyl)-2-(3-methoxyanilino)pyrimidine-5-carboxamide
CID 109266400
6-(5-chloro-2-methoxyanilino)-N-(2,4-dimethylphenyl)-2-methylpyrimidine-4-carboxamide
CID 112848881
N-(2,4-dimethylphenyl)-6-[2-(4-methoxyphenyl)ethylamino]-2-methylpyrimidine-4-carboxamide
CID 109372182
6-(1,3-benzodioxol-5-ylamino)-N-(2,4-dimethylphenyl)-2-methylpyrimidine-4-carboxamide
CID 112848902

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-6-(3-methoxyanilino)-2-methylpyrimidine-4-carboxamide?
The IUPAC name of N-(2,4-dimethylphenyl)-6-(3-methoxyanilino)-2-methylpyrimidine-4-carboxamide (CID 112848883) is N-(2,4-dimethylphenyl)-6-(3-methoxyanilino)-2-methylpyrimidine-4-carboxamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-6-(3-methoxyanilino)-2-methylpyrimidine-4-carboxamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-6-(3-methoxyanilino)-2-methylpyrimidine-4-carboxamide is COc1cccc(Nc2cc(C(=O)Nc3ccc(C)cc3C)nc(C)n2)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-6-(3-methoxyanilino)-2-methylpyrimidine-4-carboxamide?
The InChIKey is XAEAWCVOAXNRET-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-13-8-9-18(14(2)10-13)25-21(26)19-12-20(23-15(3)22-19)24-16-6-5-7-17(11-16)27-4/h5-12H,1-4H3,(H,25,26)(H,22,23,24).
What are the key properties of N-(2,4-dimethylphenyl)-6-(3-methoxyanilino)-2-methylpyrimidine-4-carboxamide?
N-(2,4-dimethylphenyl)-6-(3-methoxyanilino)-2-methylpyrimidine-4-carboxamide has a molecular weight of 362.43 g/mol, XLogP of 4.41, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-6-(3-methoxyanilino)-2-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 112848883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).