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

C20H20N4O — CID 109346690

IUPACN-benzyl-6-(4-ethylanilino)pyrimidine-4-carboxamide
SMILESCCc1ccc(Nc2cc(C(=O)NCc3ccccc3)ncn2)cc1
InChIInChI=1S/C20H20N4O/c1-2-15-8-10-17(11-9-15)24-19-12-18(22-14-23-19)20(25)21-13-16-6-4-3-5-7-16/h3-12,14H,2,13H2,1H3,(H,21,25)(H,22,23,24)
InChIKeyYEFHXDKBWZOJBI-UHFFFAOYSA-N
MW332.41 g/mol
LogP3.71
Rot. Bonds6

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

N-benzyl-6-(4-ethylanilino)pyrimidine-4-carboxamide (PubChem CID 109346690) has the molecular formula C20H20N4O and a molecular weight of 332.41 g/mol. Its IUPAC name is N-benzyl-6-(4-ethylanilino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-6-(4-ethylanilino)pyrimidine-4-carboxamide
PubChem CID109346690
Molecular FormulaC20H20N4O
Molecular Weight332.41 g/mol
Exact Mass332.16
IUPAC NameN-benzyl-6-(4-ethylanilino)pyrimidine-4-carboxamide
SMILESCCc1ccc(Nc2cc(C(=O)NCc3ccccc3)ncn2)cc1
InChIInChI=1S/C20H20N4O/c1-2-15-8-10-17(11-9-15)24-19-12-18(22-14-23-19)20(25)21-13-16-6-4-3-5-7-16/h3-12,14H,2,13H2,1H3,(H,21,25)(H,22,23,24)
InChIKeyYEFHXDKBWZOJBI-UHFFFAOYSA-N
XLogP3.71
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(4-ethylanilino)-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109347444
N-benzyl-6-(4-methylanilino)pyrimidine-4-carboxamide
CID 109346679
N-benzyl-6-(4-fluoroanilino)pyrimidine-4-carboxamide
CID 109346699
6-(4-ethylanilino)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
CID 109349759
N-benzyl-6-(3,4-dimethoxyanilino)pyrimidine-4-carboxamide
CID 109346723
6-(4-bromoanilino)-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109347458
6-(4-chloroanilino)-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109347450
N-benzyl-6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyrimidine-4-carboxamide
CID 109346748
N-[(4-chlorophenyl)methyl]-6-(4-ethoxyanilino)pyrimidine-4-carboxamide
CID 109348808
6-(4-ethylanilino)-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109356279
6-(4-ethylanilino)-N-(4-fluorophenyl)pyrimidine-4-carboxamide
CID 109357328
N-benzyl-6-(2,4-difluoroanilino)pyrimidine-4-carboxamide
CID 109346751

Frequently Asked Questions

What is the IUPAC name of N-benzyl-6-(4-ethylanilino)pyrimidine-4-carboxamide?
The IUPAC name of N-benzyl-6-(4-ethylanilino)pyrimidine-4-carboxamide (CID 109346690) is N-benzyl-6-(4-ethylanilino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-benzyl-6-(4-ethylanilino)pyrimidine-4-carboxamide?
The canonical SMILES for N-benzyl-6-(4-ethylanilino)pyrimidine-4-carboxamide is CCc1ccc(Nc2cc(C(=O)NCc3ccccc3)ncn2)cc1.
What is the InChIKey of N-benzyl-6-(4-ethylanilino)pyrimidine-4-carboxamide?
The InChIKey is YEFHXDKBWZOJBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O/c1-2-15-8-10-17(11-9-15)24-19-12-18(22-14-23-19)20(25)21-13-16-6-4-3-5-7-16/h3-12,14H,2,13H2,1H3,(H,21,25)(H,22,23,24).
What are the key properties of N-benzyl-6-(4-ethylanilino)pyrimidine-4-carboxamide?
N-benzyl-6-(4-ethylanilino)pyrimidine-4-carboxamide has a molecular weight of 332.41 g/mol, XLogP of 3.71, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-6-(4-ethylanilino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109346690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).