2-(3-methoxyanilino)-N-[2-(3-methoxyphenyl)ethyl]-6-methylpyrimidine-4-carboxamide

C22H24N4O3 — CID 109331076

IUPAC2-(3-methoxyanilino)-N-[2-(3-methoxyphenyl)ethyl]-6-methylpyrimidine-4-carboxamide
SMILESCOc1cccc(CCNC(=O)c2cc(C)nc(Nc3cccc(OC)c3)n2)c1
InChIInChI=1S/C22H24N4O3/c1-15-12-20(21(27)23-11-10-16-6-4-8-18(13-16)28-2)26-22(24-15)25-17-7-5-9-19(14-17)29-3/h4-9,12-14H,10-11H2,1-3H3,(H,23,27)(H,24,25,26)
InChIKeyGRRMZAKIKRPLRR-UHFFFAOYSA-N
MW392.46 g/mol
LogP3.52
Rot. Bonds8

About 2-(3-methoxyanilino)-N-[2-(3-methoxyphenyl)ethyl]-6-methylpyrimidine-4-carboxamide

2-(3-methoxyanilino)-N-[2-(3-methoxyphenyl)ethyl]-6-methylpyrimidine-4-carboxamide (PubChem CID 109331076) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is 2-(3-methoxyanilino)-N-[2-(3-methoxyphenyl)ethyl]-6-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(3-methoxyanilino)-N-[2-(3-methoxyphenyl)ethyl]-6-methylpyrimidine-4-carboxamide
PubChem CID109331076
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC Name2-(3-methoxyanilino)-N-[2-(3-methoxyphenyl)ethyl]-6-methylpyrimidine-4-carboxamide
SMILESCOc1cccc(CCNC(=O)c2cc(C)nc(Nc3cccc(OC)c3)n2)c1
InChIInChI=1S/C22H24N4O3/c1-15-12-20(21(27)23-11-10-16-6-4-8-18(13-16)28-2)26-22(24-15)25-17-7-5-9-19(14-17)29-3/h4-9,12-14H,10-11H2,1-3H3,(H,23,27)(H,24,25,26)
InChIKeyGRRMZAKIKRPLRR-UHFFFAOYSA-N
XLogP3.52
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-(3-methoxyanilino)-N-[2-(3-methoxyphenyl)ethyl]-6-methylpyrimidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3,5-dimethylanilino)-N-[2-(3-methoxyphenyl)ethyl]-6-methylpyrimidine-4-carboxamide
CID 109331064
2-(benzylamino)-N-[2-(3-methoxyphenyl)ethyl]-6-methylpyrimidine-4-carboxamide
CID 109327090
2-(2-ethylanilino)-N-[2-(3-methoxyphenyl)ethyl]-6-methylpyrimidine-4-carboxamide
CID 109331067
2-(4-methoxyanilino)-N-[2-(4-methoxyphenyl)ethyl]-6-methylpyrimidine-4-carboxamide
CID 109331159
N-[2-(3-methoxyphenyl)ethyl]-6-methyl-2-(1-phenylethylamino)pyrimidine-4-carboxamide
CID 109328008
2-(3-methoxyanilino)-6-methyl-N-phenylpyrimidine-4-carboxamide
CID 109334663
N-[2-(2-methoxyphenyl)ethyl]-6-methyl-2-(3-methylanilino)pyrimidine-4-carboxamide
CID 109330975
2-(3-chloroanilino)-N-[(4-methoxyphenyl)methyl]-6-methylpyrimidine-4-carboxamide
CID 109329352
N-(4-fluorophenyl)-2-[2-(3-methoxyphenyl)ethylamino]-6-methylpyrimidine-4-carboxamide
CID 109331030
2-N-(3-methoxyphenyl)-4-N-[2-(3-methoxyphenyl)ethyl]-6-methylpyrimidine-2,4-diamine
CID 112921166
2-[benzyl(methyl)amino]-N-[2-(3-methoxyphenyl)ethyl]-6-methylpyrimidine-4-carboxamide
CID 109328220
6-methyl-2-(3-methylanilino)-N-(3-phenylpropyl)pyrimidine-4-carboxamide
CID 109332517

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyanilino)-N-[2-(3-methoxyphenyl)ethyl]-6-methylpyrimidine-4-carboxamide?
The IUPAC name of 2-(3-methoxyanilino)-N-[2-(3-methoxyphenyl)ethyl]-6-methylpyrimidine-4-carboxamide (CID 109331076) is 2-(3-methoxyanilino)-N-[2-(3-methoxyphenyl)ethyl]-6-methylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-(3-methoxyanilino)-N-[2-(3-methoxyphenyl)ethyl]-6-methylpyrimidine-4-carboxamide?
The canonical SMILES for 2-(3-methoxyanilino)-N-[2-(3-methoxyphenyl)ethyl]-6-methylpyrimidine-4-carboxamide is COc1cccc(CCNC(=O)c2cc(C)nc(Nc3cccc(OC)c3)n2)c1.
What is the InChIKey of 2-(3-methoxyanilino)-N-[2-(3-methoxyphenyl)ethyl]-6-methylpyrimidine-4-carboxamide?
The InChIKey is GRRMZAKIKRPLRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-15-12-20(21(27)23-11-10-16-6-4-8-18(13-16)28-2)26-22(24-15)25-17-7-5-9-19(14-17)29-3/h4-9,12-14H,10-11H2,1-3H3,(H,23,27)(H,24,25,26).
What are the key properties of 2-(3-methoxyanilino)-N-[2-(3-methoxyphenyl)ethyl]-6-methylpyrimidine-4-carboxamide?
2-(3-methoxyanilino)-N-[2-(3-methoxyphenyl)ethyl]-6-methylpyrimidine-4-carboxamide has a molecular weight of 392.46 g/mol, XLogP of 3.52, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyanilino)-N-[2-(3-methoxyphenyl)ethyl]-6-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109331076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).