6-(2,4-dimethylanilino)-N-[(2-methoxyphenyl)methyl]pyrimidine-4-carboxamide

C21H22N4O2 — CID 109348977

IUPAC6-(2,4-dimethylanilino)-N-[(2-methoxyphenyl)methyl]pyrimidine-4-carboxamide
SMILESCOc1ccccc1CNC(=O)c1cc(Nc2ccc(C)cc2C)ncn1
InChIInChI=1S/C21H22N4O2/c1-14-8-9-17(15(2)10-14)25-20-11-18(23-13-24-20)21(26)22-12-16-6-4-5-7-19(16)27-3/h4-11,13H,12H2,1-3H3,(H,22,26)(H,23,24,25)
InChIKeyQZAKAOLZGJZUKG-UHFFFAOYSA-N
MW362.43 g/mol
LogP3.78
Rot. Bonds6

About 6-(2,4-dimethylanilino)-N-[(2-methoxyphenyl)methyl]pyrimidine-4-carboxamide

6-(2,4-dimethylanilino)-N-[(2-methoxyphenyl)methyl]pyrimidine-4-carboxamide (PubChem CID 109348977) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is 6-(2,4-dimethylanilino)-N-[(2-methoxyphenyl)methyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(2,4-dimethylanilino)-N-[(2-methoxyphenyl)methyl]pyrimidine-4-carboxamide
PubChem CID109348977
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC Name6-(2,4-dimethylanilino)-N-[(2-methoxyphenyl)methyl]pyrimidine-4-carboxamide
SMILESCOc1ccccc1CNC(=O)c1cc(Nc2ccc(C)cc2C)ncn1
InChIInChI=1S/C21H22N4O2/c1-14-8-9-17(15(2)10-14)25-20-11-18(23-13-24-20)21(26)22-12-16-6-4-5-7-19(16)27-3/h4-11,13H,12H2,1-3H3,(H,22,26)(H,23,24,25)
InChIKeyQZAKAOLZGJZUKG-UHFFFAOYSA-N
XLogP3.78
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,4-dimethylphenyl)-6-(2-methoxyanilino)pyrimidine-4-carboxamide
CID 109356801
4-N-(2,4-dimethylphenyl)-2-N-[(2-methoxyphenyl)methyl]pyridine-2,4-dicarboxamide
CID 109086851
6-(3-acetamidoanilino)-N-[(2-methoxyphenyl)methyl]pyrimidine-4-carboxamide
CID 109349018
N-[(2-chlorophenyl)methyl]-6-(2,5-dimethylanilino)pyrimidine-4-carboxamide
CID 109348620
6-(2,3-dimethylanilino)-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-4-carboxamide
CID 109351251
methyl 2-[[6-[(2-methylphenyl)methylcarbamoyl]pyrimidin-4-yl]amino]benzoate
CID 109346993
N-(2-ethylphenyl)-6-(2-methoxy-5-methylanilino)pyrimidine-4-carboxamide
CID 109357298
N-[(3,4-dimethoxyphenyl)methyl]-6-(2,5-dimethylanilino)pyrimidine-4-carboxamide
CID 109352464
N-(4-chloro-2-methylphenyl)-6-[(2-methoxyphenyl)methylamino]pyrimidine-4-carboxamide
CID 109348899
5-(2,5-dimethylanilino)-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109190194
6-(2-methoxyanilino)-N-[(4-methoxyphenyl)methyl]pyrimidine-4-carboxamide
CID 109349205
6-(2-methoxy-5-methylanilino)-2-methyl-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109368680

Frequently Asked Questions

What is the IUPAC name of 6-(2,4-dimethylanilino)-N-[(2-methoxyphenyl)methyl]pyrimidine-4-carboxamide?
The IUPAC name of 6-(2,4-dimethylanilino)-N-[(2-methoxyphenyl)methyl]pyrimidine-4-carboxamide (CID 109348977) is 6-(2,4-dimethylanilino)-N-[(2-methoxyphenyl)methyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(2,4-dimethylanilino)-N-[(2-methoxyphenyl)methyl]pyrimidine-4-carboxamide?
The canonical SMILES for 6-(2,4-dimethylanilino)-N-[(2-methoxyphenyl)methyl]pyrimidine-4-carboxamide is COc1ccccc1CNC(=O)c1cc(Nc2ccc(C)cc2C)ncn1.
What is the InChIKey of 6-(2,4-dimethylanilino)-N-[(2-methoxyphenyl)methyl]pyrimidine-4-carboxamide?
The InChIKey is QZAKAOLZGJZUKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-14-8-9-17(15(2)10-14)25-20-11-18(23-13-24-20)21(26)22-12-16-6-4-5-7-19(16)27-3/h4-11,13H,12H2,1-3H3,(H,22,26)(H,23,24,25).
What are the key properties of 6-(2,4-dimethylanilino)-N-[(2-methoxyphenyl)methyl]pyrimidine-4-carboxamide?
6-(2,4-dimethylanilino)-N-[(2-methoxyphenyl)methyl]pyrimidine-4-carboxamide has a molecular weight of 362.43 g/mol, XLogP of 3.78, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4-dimethylanilino)-N-[(2-methoxyphenyl)methyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 109348977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).