2-(3,4-dimethoxyanilino)-N-(2,5-dimethylphenyl)-6-methylpyrimidine-4-carboxamide

C22H24N4O3 — CID 109335782

IUPAC2-(3,4-dimethoxyanilino)-N-(2,5-dimethylphenyl)-6-methylpyrimidine-4-carboxamide
SMILESCOc1ccc(Nc2nc(C)cc(C(=O)Nc3cc(C)ccc3C)n2)cc1OC
InChIInChI=1S/C22H24N4O3/c1-13-6-7-14(2)17(10-13)25-21(27)18-11-15(3)23-22(26-18)24-16-8-9-19(28-4)20(12-16)29-5/h6-12H,1-5H3,(H,25,27)(H,23,24,26)
InChIKeyZRKHSDZGRONMIL-UHFFFAOYSA-N
MW392.46 g/mol
LogP4.41
Rot. Bonds6

About 2-(3,4-dimethoxyanilino)-N-(2,5-dimethylphenyl)-6-methylpyrimidine-4-carboxamide

2-(3,4-dimethoxyanilino)-N-(2,5-dimethylphenyl)-6-methylpyrimidine-4-carboxamide (PubChem CID 109335782) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is 2-(3,4-dimethoxyanilino)-N-(2,5-dimethylphenyl)-6-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(3,4-dimethoxyanilino)-N-(2,5-dimethylphenyl)-6-methylpyrimidine-4-carboxamide
PubChem CID109335782
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC Name2-(3,4-dimethoxyanilino)-N-(2,5-dimethylphenyl)-6-methylpyrimidine-4-carboxamide
SMILESCOc1ccc(Nc2nc(C)cc(C(=O)Nc3cc(C)ccc3C)n2)cc1OC
InChIInChI=1S/C22H24N4O3/c1-13-6-7-14(2)17(10-13)25-21(27)18-11-15(3)23-22(26-18)24-16-8-9-19(28-4)20(12-16)29-5/h6-12H,1-5H3,(H,25,27)(H,23,24,26)
InChIKeyZRKHSDZGRONMIL-UHFFFAOYSA-N
XLogP4.41
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,5-dimethylphenyl)-2-(2-methoxy-5-methylanilino)-6-methylpyrimidine-4-carboxamide
CID 109335777
N-(3,4-dimethoxyphenyl)-2-(2,4-dimethylanilino)-6-methylpyrimidine-4-carboxamide
CID 109335636
N-(3-chloro-4-methoxyphenyl)-2-(2,5-dimethylanilino)-6-methylpyrimidine-4-carboxamide
CID 109335722
2-(4-cyanoanilino)-N-(2-methoxy-5-methylphenyl)-6-methylpyrimidine-4-carboxamide
CID 109337704
N-(2-cyanophenyl)-2-(3,4-dimethoxyanilino)-6-methylpyrimidine-4-carboxamide
CID 109337762
2-(3,4-dimethoxyanilino)-N-(2-methoxy-5-methylphenyl)pyrimidine-4-carboxamide
CID 109317940
N-cyclopropyl-2-(3,4-dimethoxyanilino)-6-methylpyrimidine-4-carboxamide
CID 109319972
2-(3,4-dimethoxyanilino)-N-(3-fluorophenyl)-6-methylpyrimidine-4-carboxamide
CID 109337761
N-(2,3-dimethylphenyl)-2-(2-methoxy-5-methylanilino)-6-methylpyrimidine-4-carboxamide
CID 109336145
N-(2-methoxyphenyl)-6-methyl-2-(3-methylanilino)pyrimidine-4-carboxamide
CID 109334921
N-(5-chloro-2-methoxyphenyl)-6-methyl-2-(3-methylanilino)pyrimidine-4-carboxamide
CID 109334919
N-(3,4-dimethoxyphenyl)-6-(2,5-dimethylanilino)-2-methylpyrimidine-4-carboxamide
CID 112848932

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyanilino)-N-(2,5-dimethylphenyl)-6-methylpyrimidine-4-carboxamide?
The IUPAC name of 2-(3,4-dimethoxyanilino)-N-(2,5-dimethylphenyl)-6-methylpyrimidine-4-carboxamide (CID 109335782) is 2-(3,4-dimethoxyanilino)-N-(2,5-dimethylphenyl)-6-methylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-(3,4-dimethoxyanilino)-N-(2,5-dimethylphenyl)-6-methylpyrimidine-4-carboxamide?
The canonical SMILES for 2-(3,4-dimethoxyanilino)-N-(2,5-dimethylphenyl)-6-methylpyrimidine-4-carboxamide is COc1ccc(Nc2nc(C)cc(C(=O)Nc3cc(C)ccc3C)n2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyanilino)-N-(2,5-dimethylphenyl)-6-methylpyrimidine-4-carboxamide?
The InChIKey is ZRKHSDZGRONMIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-13-6-7-14(2)17(10-13)25-21(27)18-11-15(3)23-22(26-18)24-16-8-9-19(28-4)20(12-16)29-5/h6-12H,1-5H3,(H,25,27)(H,23,24,26).
What are the key properties of 2-(3,4-dimethoxyanilino)-N-(2,5-dimethylphenyl)-6-methylpyrimidine-4-carboxamide?
2-(3,4-dimethoxyanilino)-N-(2,5-dimethylphenyl)-6-methylpyrimidine-4-carboxamide has a molecular weight of 392.46 g/mol, XLogP of 4.41, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyanilino)-N-(2,5-dimethylphenyl)-6-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109335782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).