N-(3,4-dimethoxyphenyl)-6-(2,5-dimethylanilino)-2-methylpyrimidine-4-carboxamide

C22H24N4O3 — CID 112848932

IUPACN-(3,4-dimethoxyphenyl)-6-(2,5-dimethylanilino)-2-methylpyrimidine-4-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(Nc3cc(C)ccc3C)nc(C)n2)cc1OC
InChIInChI=1S/C22H24N4O3/c1-13-6-7-14(2)17(10-13)26-21-12-18(23-15(3)24-21)22(27)25-16-8-9-19(28-4)20(11-16)29-5/h6-12H,1-5H3,(H,25,27)(H,23,24,26)
InChIKeyFDAMFXNJJAQIBQ-UHFFFAOYSA-N
MW392.46 g/mol
LogP4.41
Rot. Bonds6

About N-(3,4-dimethoxyphenyl)-6-(2,5-dimethylanilino)-2-methylpyrimidine-4-carboxamide

N-(3,4-dimethoxyphenyl)-6-(2,5-dimethylanilino)-2-methylpyrimidine-4-carboxamide (PubChem CID 112848932) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-6-(2,5-dimethylanilino)-2-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-6-(2,5-dimethylanilino)-2-methylpyrimidine-4-carboxamide
PubChem CID112848932
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC NameN-(3,4-dimethoxyphenyl)-6-(2,5-dimethylanilino)-2-methylpyrimidine-4-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(Nc3cc(C)ccc3C)nc(C)n2)cc1OC
InChIInChI=1S/C22H24N4O3/c1-13-6-7-14(2)17(10-13)26-21-12-18(23-15(3)24-21)22(27)25-16-8-9-19(28-4)20(11-16)29-5/h6-12H,1-5H3,(H,25,27)(H,23,24,26)
InChIKeyFDAMFXNJJAQIBQ-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-(3,4-dimethoxyphenyl)-6-(3,5-dimethylanilino)-2-methylpyrimidine-4-carboxamide
CID 112849092
N-(5-chloro-2-methoxyphenyl)-6-(2,5-dimethylanilino)-2-methylpyrimidine-4-carboxamide
CID 112848921
N-(4-chlorophenyl)-6-(2,5-dimethylanilino)-2-methylpyrimidine-4-carboxamide
CID 112848919
6-(2,4-dimethylanilino)-N-(2-methoxy-5-methylphenyl)-2-methylpyrimidine-4-carboxamide
CID 112848847
N-(2,6-dimethylphenyl)-6-(2-methoxy-5-methylanilino)-2-methylpyrimidine-4-carboxamide
CID 112849207
N-(3,4-dimethoxyphenyl)-2-methyl-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carboxamide
CID 112850763
N-(3-chloro-4-methoxyphenyl)-6-(2-methoxyanilino)-2-methylpyrimidine-4-carboxamide
CID 112850388
2-(3,4-dimethoxyanilino)-N-(2,5-dimethylphenyl)-6-methylpyrimidine-4-carboxamide
CID 109335782
6-(2-methoxy-5-methylanilino)-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide
CID 112850686
6-(5-chloro-2-methoxyanilino)-N-(2,4-dimethylphenyl)-2-methylpyrimidine-4-carboxamide
CID 112848881
N-(2,5-dimethoxyphenyl)-6-(2,4-dimethylanilino)-2-methylpyrimidine-4-carboxamide
CID 112848850
N-(2,5-dimethylphenyl)-2-methyl-6-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide
CID 112848969

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-6-(2,5-dimethylanilino)-2-methylpyrimidine-4-carboxamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-6-(2,5-dimethylanilino)-2-methylpyrimidine-4-carboxamide (CID 112848932) is N-(3,4-dimethoxyphenyl)-6-(2,5-dimethylanilino)-2-methylpyrimidine-4-carboxamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-6-(2,5-dimethylanilino)-2-methylpyrimidine-4-carboxamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-6-(2,5-dimethylanilino)-2-methylpyrimidine-4-carboxamide is COc1ccc(NC(=O)c2cc(Nc3cc(C)ccc3C)nc(C)n2)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-6-(2,5-dimethylanilino)-2-methylpyrimidine-4-carboxamide?
The InChIKey is FDAMFXNJJAQIBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-13-6-7-14(2)17(10-13)26-21-12-18(23-15(3)24-21)22(27)25-16-8-9-19(28-4)20(11-16)29-5/h6-12H,1-5H3,(H,25,27)(H,23,24,26).
What are the key properties of N-(3,4-dimethoxyphenyl)-6-(2,5-dimethylanilino)-2-methylpyrimidine-4-carboxamide?
N-(3,4-dimethoxyphenyl)-6-(2,5-dimethylanilino)-2-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 N-(3,4-dimethoxyphenyl)-6-(2,5-dimethylanilino)-2-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 112848932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).