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

C22H24N4O3 — CID 109331159

IUPAC2-(4-methoxyanilino)-N-[2-(4-methoxyphenyl)ethyl]-6-methylpyrimidine-4-carboxamide
SMILESCOc1ccc(CCNC(=O)c2cc(C)nc(Nc3ccc(OC)cc3)n2)cc1
InChIInChI=1S/C22H24N4O3/c1-15-14-20(21(27)23-13-12-16-4-8-18(28-2)9-5-16)26-22(24-15)25-17-6-10-19(29-3)11-7-17/h4-11,14H,12-13H2,1-3H3,(H,23,27)(H,24,25,26)
InChIKeyNYNFDXUVUGGKFO-UHFFFAOYSA-N
MW392.46 g/mol
LogP3.52
Rot. Bonds8

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

2-(4-methoxyanilino)-N-[2-(4-methoxyphenyl)ethyl]-6-methylpyrimidine-4-carboxamide (PubChem CID 109331159) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is 2-(4-methoxyanilino)-N-[2-(4-methoxyphenyl)ethyl]-6-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(4-methoxyanilino)-N-[2-(4-methoxyphenyl)ethyl]-6-methylpyrimidine-4-carboxamide
PubChem CID109331159
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC Name2-(4-methoxyanilino)-N-[2-(4-methoxyphenyl)ethyl]-6-methylpyrimidine-4-carboxamide
SMILESCOc1ccc(CCNC(=O)c2cc(C)nc(Nc3ccc(OC)cc3)n2)cc1
InChIInChI=1S/C22H24N4O3/c1-15-14-20(21(27)23-13-12-16-4-8-18(28-2)9-5-16)26-22(24-15)25-17-6-10-19(29-3)11-7-17/h4-11,14H,12-13H2,1-3H3,(H,23,27)(H,24,25,26)
InChIKeyNYNFDXUVUGGKFO-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

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Related Compounds

2-(3-methoxyanilino)-N-[2-(3-methoxyphenyl)ethyl]-6-methylpyrimidine-4-carboxamide
CID 109331076
2-(3,5-dimethylanilino)-N-[2-(3-methoxyphenyl)ethyl]-6-methylpyrimidine-4-carboxamide
CID 109331064
2-[(4-fluorophenyl)methylamino]-N-[2-(4-methoxyphenyl)ethyl]-6-methylpyrimidine-4-carboxamide
CID 109328638
2-[4-(dimethylamino)anilino]-N-[(4-methoxyphenyl)methyl]-6-methylpyrimidine-4-carboxamide
CID 109329366
N-[2-(4-chlorophenyl)ethyl]-2-(4-cyanoanilino)-6-methylpyrimidine-4-carboxamide
CID 109331741
2-(4-ethylanilino)-6-methyl-N-propylpyrimidine-4-carboxamide
CID 109319158
2-(4-cyanoanilino)-6-methyl-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 109330527
N-[2-(4-methoxyphenyl)ethyl]-6-methyl-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109329621
N-[2-(2-methoxyphenyl)ethyl]-6-methyl-2-(4-methylanilino)pyrimidine-4-carboxamide
CID 109330976
N-[2-(cyclohexen-1-yl)ethyl]-2-[2-(4-methoxyphenyl)ethylamino]-6-methylpyrimidine-4-carboxamide
CID 109323407
2-(2-ethylanilino)-N-[2-(3-methoxyphenyl)ethyl]-6-methylpyrimidine-4-carboxamide
CID 109331067
2-anilino-N-(4-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109334565

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyanilino)-N-[2-(4-methoxyphenyl)ethyl]-6-methylpyrimidine-4-carboxamide?
The IUPAC name of 2-(4-methoxyanilino)-N-[2-(4-methoxyphenyl)ethyl]-6-methylpyrimidine-4-carboxamide (CID 109331159) is 2-(4-methoxyanilino)-N-[2-(4-methoxyphenyl)ethyl]-6-methylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-(4-methoxyanilino)-N-[2-(4-methoxyphenyl)ethyl]-6-methylpyrimidine-4-carboxamide?
The canonical SMILES for 2-(4-methoxyanilino)-N-[2-(4-methoxyphenyl)ethyl]-6-methylpyrimidine-4-carboxamide is COc1ccc(CCNC(=O)c2cc(C)nc(Nc3ccc(OC)cc3)n2)cc1.
What is the InChIKey of 2-(4-methoxyanilino)-N-[2-(4-methoxyphenyl)ethyl]-6-methylpyrimidine-4-carboxamide?
The InChIKey is NYNFDXUVUGGKFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-15-14-20(21(27)23-13-12-16-4-8-18(28-2)9-5-16)26-22(24-15)25-17-6-10-19(29-3)11-7-17/h4-11,14H,12-13H2,1-3H3,(H,23,27)(H,24,25,26).
What are the key properties of 2-(4-methoxyanilino)-N-[2-(4-methoxyphenyl)ethyl]-6-methylpyrimidine-4-carboxamide?
2-(4-methoxyanilino)-N-[2-(4-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-(4-methoxyanilino)-N-[2-(4-methoxyphenyl)ethyl]-6-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109331159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).