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

C20H20N4O — CID 109356279

IUPAC6-(4-ethylanilino)-N-(4-methylphenyl)pyrimidine-4-carboxamide
SMILESCCc1ccc(Nc2cc(C(=O)Nc3ccc(C)cc3)ncn2)cc1
InChIInChI=1S/C20H20N4O/c1-3-15-6-10-16(11-7-15)23-19-12-18(21-13-22-19)20(25)24-17-8-4-14(2)5-9-17/h4-13H,3H2,1-2H3,(H,24,25)(H,21,22,23)
InChIKeyCWNVRHVQTAJYNO-UHFFFAOYSA-N
MW332.41 g/mol
LogP4.34
Rot. Bonds5

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

6-(4-ethylanilino)-N-(4-methylphenyl)pyrimidine-4-carboxamide (PubChem CID 109356279) has the molecular formula C20H20N4O and a molecular weight of 332.41 g/mol. Its IUPAC name is 6-(4-ethylanilino)-N-(4-methylphenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(4-ethylanilino)-N-(4-methylphenyl)pyrimidine-4-carboxamide
PubChem CID109356279
Molecular FormulaC20H20N4O
Molecular Weight332.41 g/mol
Exact Mass332.16
IUPAC Name6-(4-ethylanilino)-N-(4-methylphenyl)pyrimidine-4-carboxamide
SMILESCCc1ccc(Nc2cc(C(=O)Nc3ccc(C)cc3)ncn2)cc1
InChIInChI=1S/C20H20N4O/c1-3-15-6-10-16(11-7-15)23-19-12-18(21-13-22-19)20(25)24-17-8-4-14(2)5-9-17/h4-13H,3H2,1-2H3,(H,24,25)(H,21,22,23)
InChIKeyCWNVRHVQTAJYNO-UHFFFAOYSA-N
XLogP4.34
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(4-ethylanilino)-N-(4-fluorophenyl)pyrimidine-4-carboxamide
CID 109357328
6-(4-ethylanilino)-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109347444
6-(4-methylanilino)-N-phenylpyrimidine-4-carboxamide
CID 109355799
N-(4-ethylphenyl)-6-(propylamino)pyrimidine-4-carboxamide
CID 109338344
N-(4-ethylphenyl)-4-(4-methylanilino)pyridine-2-carboxamide
CID 109219281
6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(4-ethylphenyl)pyrimidine-4-carboxamide
CID 109357395
6-(2,4-difluoroanilino)-N-(4-ethylphenyl)pyrimidine-4-carboxamide
CID 109357398
6-(4-ethylanilino)-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide
CID 109357363
6-(4-chloroanilino)-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109347450
6-(4-methylanilino)-N-propylpyrimidine-4-carboxamide
CID 109338528
N-benzyl-6-(4-ethylanilino)pyrimidine-4-carboxamide
CID 109346690
ethyl 4-[(6-anilinopyrimidine-4-carbonyl)amino]benzoate
CID 109355772

Frequently Asked Questions

What is the IUPAC name of 6-(4-ethylanilino)-N-(4-methylphenyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-(4-ethylanilino)-N-(4-methylphenyl)pyrimidine-4-carboxamide (CID 109356279) is 6-(4-ethylanilino)-N-(4-methylphenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(4-ethylanilino)-N-(4-methylphenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-(4-ethylanilino)-N-(4-methylphenyl)pyrimidine-4-carboxamide is CCc1ccc(Nc2cc(C(=O)Nc3ccc(C)cc3)ncn2)cc1.
What is the InChIKey of 6-(4-ethylanilino)-N-(4-methylphenyl)pyrimidine-4-carboxamide?
The InChIKey is CWNVRHVQTAJYNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O/c1-3-15-6-10-16(11-7-15)23-19-12-18(21-13-22-19)20(25)24-17-8-4-14(2)5-9-17/h4-13H,3H2,1-2H3,(H,24,25)(H,21,22,23).
What are the key properties of 6-(4-ethylanilino)-N-(4-methylphenyl)pyrimidine-4-carboxamide?
6-(4-ethylanilino)-N-(4-methylphenyl)pyrimidine-4-carboxamide has a molecular weight of 332.41 g/mol, XLogP of 4.34, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-ethylanilino)-N-(4-methylphenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109356279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).