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

C23H26N4O2 — CID 109331067

IUPAC2-(2-ethylanilino)-N-[2-(3-methoxyphenyl)ethyl]-6-methylpyrimidine-4-carboxamide
SMILESCCc1ccccc1Nc1nc(C)cc(C(=O)NCCc2cccc(OC)c2)n1
InChIInChI=1S/C23H26N4O2/c1-4-18-9-5-6-11-20(18)26-23-25-16(2)14-21(27-23)22(28)24-13-12-17-8-7-10-19(15-17)29-3/h5-11,14-15H,4,12-13H2,1-3H3,(H,24,28)(H,25,26,27)
InChIKeyKFVBYXJLTOSEPC-UHFFFAOYSA-N
MW390.49 g/mol
LogP4.07
Rot. Bonds8

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

2-(2-ethylanilino)-N-[2-(3-methoxyphenyl)ethyl]-6-methylpyrimidine-4-carboxamide (PubChem CID 109331067) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is 2-(2-ethylanilino)-N-[2-(3-methoxyphenyl)ethyl]-6-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(2-ethylanilino)-N-[2-(3-methoxyphenyl)ethyl]-6-methylpyrimidine-4-carboxamide
PubChem CID109331067
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC Name2-(2-ethylanilino)-N-[2-(3-methoxyphenyl)ethyl]-6-methylpyrimidine-4-carboxamide
SMILESCCc1ccccc1Nc1nc(C)cc(C(=O)NCCc2cccc(OC)c2)n1
InChIInChI=1S/C23H26N4O2/c1-4-18-9-5-6-11-20(18)26-23-25-16(2)14-21(27-23)22(28)24-13-12-17-8-7-10-19(15-17)29-3/h5-11,14-15H,4,12-13H2,1-3H3,(H,24,28)(H,25,26,27)
InChIKeyKFVBYXJLTOSEPC-UHFFFAOYSA-N
XLogP4.07
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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-(benzylamino)-N-[2-(3-methoxyphenyl)ethyl]-6-methylpyrimidine-4-carboxamide
CID 109327090
2-(2-ethylanilino)-6-methyl-N-propylpyrimidine-4-carboxamide
CID 109319157
N-[2-(3-methoxyphenyl)ethyl]-6-methyl-2-(1-phenylethylamino)pyrimidine-4-carboxamide
CID 109328008
2-(4-methoxyanilino)-N-[2-(4-methoxyphenyl)ethyl]-6-methylpyrimidine-4-carboxamide
CID 109331159
2-[benzyl(methyl)amino]-N-[2-(3-methoxyphenyl)ethyl]-6-methylpyrimidine-4-carboxamide
CID 109328220
6-methyl-N-(2-phenylethyl)-2-(quinolin-8-ylamino)pyrimidine-4-carboxamide
CID 109330522
N-[2-(2-methoxyphenyl)ethyl]-6-methyl-2-(3-methylanilino)pyrimidine-4-carboxamide
CID 109330975
N-[2-(2-methoxyphenyl)ethyl]-6-methyl-2-(4-methylanilino)pyrimidine-4-carboxamide
CID 109330976
2-N-[2-(3-methoxyphenyl)ethyl]-6-N,6-N-dipropylpyridine-2,6-dicarboxamide
CID 109098644
N-(2-ethylphenyl)-2-[(4-methoxyphenyl)methylamino]-6-methylpyrimidine-4-carboxamide
CID 109329270

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylanilino)-N-[2-(3-methoxyphenyl)ethyl]-6-methylpyrimidine-4-carboxamide?
The IUPAC name of 2-(2-ethylanilino)-N-[2-(3-methoxyphenyl)ethyl]-6-methylpyrimidine-4-carboxamide (CID 109331067) is 2-(2-ethylanilino)-N-[2-(3-methoxyphenyl)ethyl]-6-methylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-(2-ethylanilino)-N-[2-(3-methoxyphenyl)ethyl]-6-methylpyrimidine-4-carboxamide?
The canonical SMILES for 2-(2-ethylanilino)-N-[2-(3-methoxyphenyl)ethyl]-6-methylpyrimidine-4-carboxamide is CCc1ccccc1Nc1nc(C)cc(C(=O)NCCc2cccc(OC)c2)n1.
What is the InChIKey of 2-(2-ethylanilino)-N-[2-(3-methoxyphenyl)ethyl]-6-methylpyrimidine-4-carboxamide?
The InChIKey is KFVBYXJLTOSEPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-4-18-9-5-6-11-20(18)26-23-25-16(2)14-21(27-23)22(28)24-13-12-17-8-7-10-19(15-17)29-3/h5-11,14-15H,4,12-13H2,1-3H3,(H,24,28)(H,25,26,27).
What are the key properties of 2-(2-ethylanilino)-N-[2-(3-methoxyphenyl)ethyl]-6-methylpyrimidine-4-carboxamide?
2-(2-ethylanilino)-N-[2-(3-methoxyphenyl)ethyl]-6-methylpyrimidine-4-carboxamide has a molecular weight of 390.49 g/mol, XLogP of 4.07, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylanilino)-N-[2-(3-methoxyphenyl)ethyl]-6-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109331067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).