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

C23H26N4O2 — CID 109372149

IUPAC6-(N-ethylanilino)-N-[2-(3-methoxyphenyl)ethyl]-2-methylpyrimidine-4-carboxamide
SMILESCCN(c1ccccc1)c1cc(C(=O)NCCc2cccc(OC)c2)nc(C)n1
InChIInChI=1S/C23H26N4O2/c1-4-27(19-10-6-5-7-11-19)22-16-21(25-17(2)26-22)23(28)24-14-13-18-9-8-12-20(15-18)29-3/h5-12,15-16H,4,13-14H2,1-3H3,(H,24,28)
InChIKeyNKSJFZKTDXLMEG-UHFFFAOYSA-N
MW390.49 g/mol
LogP3.92
Rot. Bonds8

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

6-(N-ethylanilino)-N-[2-(3-methoxyphenyl)ethyl]-2-methylpyrimidine-4-carboxamide (PubChem CID 109372149) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is 6-(N-ethylanilino)-N-[2-(3-methoxyphenyl)ethyl]-2-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(N-ethylanilino)-N-[2-(3-methoxyphenyl)ethyl]-2-methylpyrimidine-4-carboxamide
PubChem CID109372149
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC Name6-(N-ethylanilino)-N-[2-(3-methoxyphenyl)ethyl]-2-methylpyrimidine-4-carboxamide
SMILESCCN(c1ccccc1)c1cc(C(=O)NCCc2cccc(OC)c2)nc(C)n1
InChIInChI=1S/C23H26N4O2/c1-4-27(19-10-6-5-7-11-19)22-16-21(25-17(2)26-22)23(28)24-14-13-18-9-8-12-20(15-18)29-3/h5-12,15-16H,4,13-14H2,1-3H3,(H,24,28)
InChIKeyNKSJFZKTDXLMEG-UHFFFAOYSA-N
XLogP3.92
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(diethylamino)-N-[2-(3-methoxyphenyl)ethyl]-2-methylpyrimidine-4-carboxamide
CID 109372125
2-(N-ethylanilino)-N-[2-(3-methoxyphenyl)ethyl]pyridine-4-carboxamide
CID 109172872
2-N-[2-(3-methoxyphenyl)ethyl]-6-N-methyl-6-N-phenylpyridine-2,6-dicarboxamide
CID 109098650
N-[3-(dimethylamino)propyl]-6-(N-ethylanilino)-2-methylpyrimidine-4-carboxamide
CID 109366778
N-[2-(3-methoxyphenyl)ethyl]-6-(N-methylanilino)pyrimidine-4-carboxamide
CID 109351369
6-[2-(3-methoxyphenyl)ethylamino]-2-methyl-N-propylpyrimidine-4-carboxamide
CID 109360220
1-ethyl-3-[2-(3-methoxyphenyl)ethyl]-1-phenylurea
CID 108900948
N-benzyl-6-[2-(3-methoxyphenyl)ethylamino]-2-methylpyrimidine-4-carboxamide
CID 109368382
6-(diethylamino)-N-[2-(3-methoxyphenyl)ethyl]pyrimidine-4-carboxamide
CID 109351354
2-[benzyl(methyl)amino]-N-[2-(3-methoxyphenyl)ethyl]-6-methylpyrimidine-4-carboxamide
CID 109328220
N-[2-(3-methoxyphenyl)ethyl]-2-methyl-6-(2-methylpropylamino)pyrimidine-4-carboxamide
CID 109361970
2-(benzylamino)-N-[2-(3-methoxyphenyl)ethyl]-6-methylpyrimidine-4-carboxamide
CID 109327090

Frequently Asked Questions

What is the IUPAC name of 6-(N-ethylanilino)-N-[2-(3-methoxyphenyl)ethyl]-2-methylpyrimidine-4-carboxamide?
The IUPAC name of 6-(N-ethylanilino)-N-[2-(3-methoxyphenyl)ethyl]-2-methylpyrimidine-4-carboxamide (CID 109372149) is 6-(N-ethylanilino)-N-[2-(3-methoxyphenyl)ethyl]-2-methylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-(N-ethylanilino)-N-[2-(3-methoxyphenyl)ethyl]-2-methylpyrimidine-4-carboxamide?
The canonical SMILES for 6-(N-ethylanilino)-N-[2-(3-methoxyphenyl)ethyl]-2-methylpyrimidine-4-carboxamide is CCN(c1ccccc1)c1cc(C(=O)NCCc2cccc(OC)c2)nc(C)n1.
What is the InChIKey of 6-(N-ethylanilino)-N-[2-(3-methoxyphenyl)ethyl]-2-methylpyrimidine-4-carboxamide?
The InChIKey is NKSJFZKTDXLMEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-4-27(19-10-6-5-7-11-19)22-16-21(25-17(2)26-22)23(28)24-14-13-18-9-8-12-20(15-18)29-3/h5-12,15-16H,4,13-14H2,1-3H3,(H,24,28).
What are the key properties of 6-(N-ethylanilino)-N-[2-(3-methoxyphenyl)ethyl]-2-methylpyrimidine-4-carboxamide?
6-(N-ethylanilino)-N-[2-(3-methoxyphenyl)ethyl]-2-methylpyrimidine-4-carboxamide has a molecular weight of 390.49 g/mol, XLogP of 3.92, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(N-ethylanilino)-N-[2-(3-methoxyphenyl)ethyl]-2-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109372149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).