6-(N-ethylanilino)-N-(2-phenylethyl)pyrimidine-4-carboxamide

C21H22N4O — CID 109350583

IUPAC6-(N-ethylanilino)-N-(2-phenylethyl)pyrimidine-4-carboxamide
SMILESCCN(c1ccccc1)c1cc(C(=O)NCCc2ccccc2)ncn1
InChIInChI=1S/C21H22N4O/c1-2-25(18-11-7-4-8-12-18)20-15-19(23-16-24-20)21(26)22-14-13-17-9-5-3-6-10-17/h3-12,15-16H,2,13-14H2,1H3,(H,22,26)
InChIKeyAHYUEWJRWUBGGP-UHFFFAOYSA-N
MW346.43 g/mol
LogP3.61
Rot. Bonds7

About 6-(N-ethylanilino)-N-(2-phenylethyl)pyrimidine-4-carboxamide

6-(N-ethylanilino)-N-(2-phenylethyl)pyrimidine-4-carboxamide (PubChem CID 109350583) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is 6-(N-ethylanilino)-N-(2-phenylethyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(N-ethylanilino)-N-(2-phenylethyl)pyrimidine-4-carboxamide
PubChem CID109350583
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC Name6-(N-ethylanilino)-N-(2-phenylethyl)pyrimidine-4-carboxamide
SMILESCCN(c1ccccc1)c1cc(C(=O)NCCc2ccccc2)ncn1
InChIInChI=1S/C21H22N4O/c1-2-25(18-11-7-4-8-12-18)20-15-19(23-16-24-20)21(26)22-14-13-17-9-5-3-6-10-17/h3-12,15-16H,2,13-14H2,1H3,(H,22,26)
InChIKeyAHYUEWJRWUBGGP-UHFFFAOYSA-N
XLogP3.61
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(N-ethylanilino)-N-(3-methylbutyl)pyrimidine-4-carboxamide
CID 109354322
6-(N-ethyl-3-methylanilino)-N-[2-(4-fluorophenyl)ethyl]pyrimidine-4-carboxamide
CID 109351156
6-[butyl(methyl)amino]-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 109350562
N-benzyl-N-ethyl-6-(N-ethylanilino)pyrimidine-4-carboxamide
CID 109349515
N-[2-(4-methoxyphenyl)ethyl]-6-(N-methylanilino)pyrimidine-4-carboxamide
CID 109351495
6-(N-ethylanilino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109346373
6-(N-ethylanilino)-N-(2-methylphenyl)pyrimidine-4-carboxamide
CID 109355985
5-(N-ethyl-3-methylanilino)-N-(2-phenylethyl)pyrazine-2-carboxamide
CID 109283898
N-[2-(3-methoxyphenyl)ethyl]-6-(N-methylanilino)pyrimidine-4-carboxamide
CID 109351369
N-(4-bromophenyl)-6-(N-ethylanilino)pyrimidine-4-carboxamide
CID 109357416
N-(2-ethoxyphenyl)-6-(N-ethylanilino)pyrimidine-4-carboxamide
CID 109357420
6-(N-ethylanilino)-N-[2-(3-methoxyphenyl)ethyl]-2-methylpyrimidine-4-carboxamide
CID 109372149

Frequently Asked Questions

What is the IUPAC name of 6-(N-ethylanilino)-N-(2-phenylethyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-(N-ethylanilino)-N-(2-phenylethyl)pyrimidine-4-carboxamide (CID 109350583) is 6-(N-ethylanilino)-N-(2-phenylethyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(N-ethylanilino)-N-(2-phenylethyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-(N-ethylanilino)-N-(2-phenylethyl)pyrimidine-4-carboxamide is CCN(c1ccccc1)c1cc(C(=O)NCCc2ccccc2)ncn1.
What is the InChIKey of 6-(N-ethylanilino)-N-(2-phenylethyl)pyrimidine-4-carboxamide?
The InChIKey is AHYUEWJRWUBGGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O/c1-2-25(18-11-7-4-8-12-18)20-15-19(23-16-24-20)21(26)22-14-13-17-9-5-3-6-10-17/h3-12,15-16H,2,13-14H2,1H3,(H,22,26).
What are the key properties of 6-(N-ethylanilino)-N-(2-phenylethyl)pyrimidine-4-carboxamide?
6-(N-ethylanilino)-N-(2-phenylethyl)pyrimidine-4-carboxamide has a molecular weight of 346.43 g/mol, XLogP of 3.61, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(N-ethylanilino)-N-(2-phenylethyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109350583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).