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

C20H20N4O — CID 109355985

IUPAC6-(N-ethylanilino)-N-(2-methylphenyl)pyrimidine-4-carboxamide
SMILESCCN(c1ccccc1)c1cc(C(=O)Nc2ccccc2C)ncn1
InChIInChI=1S/C20H20N4O/c1-3-24(16-10-5-4-6-11-16)19-13-18(21-14-22-19)20(25)23-17-12-8-7-9-15(17)2/h4-14H,3H2,1-2H3,(H,23,25)
InChIKeyMZKNDWVOGTYZNM-UHFFFAOYSA-N
MW332.41 g/mol
LogP4.20
Rot. Bonds5

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

6-(N-ethylanilino)-N-(2-methylphenyl)pyrimidine-4-carboxamide (PubChem CID 109355985) has the molecular formula C20H20N4O and a molecular weight of 332.41 g/mol. Its IUPAC name is 6-(N-ethylanilino)-N-(2-methylphenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(N-ethylanilino)-N-(2-methylphenyl)pyrimidine-4-carboxamide
PubChem CID109355985
Molecular FormulaC20H20N4O
Molecular Weight332.41 g/mol
Exact Mass332.16
IUPAC Name6-(N-ethylanilino)-N-(2-methylphenyl)pyrimidine-4-carboxamide
SMILESCCN(c1ccccc1)c1cc(C(=O)Nc2ccccc2C)ncn1
InChIInChI=1S/C20H20N4O/c1-3-24(16-10-5-4-6-11-16)19-13-18(21-14-22-19)20(25)23-17-12-8-7-9-15(17)2/h4-14H,3H2,1-2H3,(H,23,25)
InChIKeyMZKNDWVOGTYZNM-UHFFFAOYSA-N
XLogP4.20
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-ethoxyphenyl)-6-(N-ethylanilino)pyrimidine-4-carboxamide
CID 109357420
N-(4-bromophenyl)-6-(N-ethylanilino)pyrimidine-4-carboxamide
CID 109357416
N-(2,4-dimethoxyphenyl)-6-(N-ethylanilino)pyrimidine-4-carboxamide
CID 109357426
6-(N-ethyl-3-methylanilino)-N-(2-methoxyphenyl)pyrimidine-4-carboxamide
CID 109358783
N-(4-cyanophenyl)-6-(N-ethylanilino)pyrimidine-4-carboxamide
CID 109357453
6-(N-ethylanilino)-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 109350583
6-[benzyl(propan-2-yl)amino]-N-(2-methylphenyl)pyrimidine-4-carboxamide
CID 109354111
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(N-ethylanilino)pyrimidine-4-carboxamide
CID 109357445
6-(N-ethylanilino)-N-(3-methylbutyl)pyrimidine-4-carboxamide
CID 109354322
N-(3-chloro-4-methoxyphenyl)-6-(N-ethylanilino)pyrimidine-4-carboxamide
CID 109357414
6-[benzyl(ethyl)amino]-N-(2,3-dimethylphenyl)pyrimidine-4-carboxamide
CID 109349425
6-(diethylamino)-N-(2-ethylphenyl)pyrimidine-4-carboxamide
CID 109353293

Frequently Asked Questions

What is the IUPAC name of 6-(N-ethylanilino)-N-(2-methylphenyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-(N-ethylanilino)-N-(2-methylphenyl)pyrimidine-4-carboxamide (CID 109355985) is 6-(N-ethylanilino)-N-(2-methylphenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(N-ethylanilino)-N-(2-methylphenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-(N-ethylanilino)-N-(2-methylphenyl)pyrimidine-4-carboxamide is CCN(c1ccccc1)c1cc(C(=O)Nc2ccccc2C)ncn1.
What is the InChIKey of 6-(N-ethylanilino)-N-(2-methylphenyl)pyrimidine-4-carboxamide?
The InChIKey is MZKNDWVOGTYZNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O/c1-3-24(16-10-5-4-6-11-16)19-13-18(21-14-22-19)20(25)23-17-12-8-7-9-15(17)2/h4-14H,3H2,1-2H3,(H,23,25).
What are the key properties of 6-(N-ethylanilino)-N-(2-methylphenyl)pyrimidine-4-carboxamide?
6-(N-ethylanilino)-N-(2-methylphenyl)pyrimidine-4-carboxamide has a molecular weight of 332.41 g/mol, XLogP of 4.20, 5 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-methylphenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109355985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).