2-[benzyl(ethyl)amino]-N-(4-chlorophenyl)pyrimidine-4-carboxamide

C20H19ClN4O — CID 109306739

IUPAC2-[benzyl(ethyl)amino]-N-(4-chlorophenyl)pyrimidine-4-carboxamide
SMILESCCN(Cc1ccccc1)c1nccc(C(=O)Nc2ccc(Cl)cc2)n1
InChIInChI=1S/C20H19ClN4O/c1-2-25(14-15-6-4-3-5-7-15)20-22-13-12-18(24-20)19(26)23-17-10-8-16(21)9-11-17/h3-13H,2,14H2,1H3,(H,23,26)
InChIKeyZUKYPEIVSZSTPF-UHFFFAOYSA-N
MW366.85 g/mol
LogP4.41
Rot. Bonds6

About 2-[benzyl(ethyl)amino]-N-(4-chlorophenyl)pyrimidine-4-carboxamide

2-[benzyl(ethyl)amino]-N-(4-chlorophenyl)pyrimidine-4-carboxamide (PubChem CID 109306739) has the molecular formula C20H19ClN4O and a molecular weight of 366.85 g/mol. Its IUPAC name is 2-[benzyl(ethyl)amino]-N-(4-chlorophenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-[benzyl(ethyl)amino]-N-(4-chlorophenyl)pyrimidine-4-carboxamide
PubChem CID109306739
Molecular FormulaC20H19ClN4O
Molecular Weight366.85 g/mol
Exact Mass366.12
IUPAC Name2-[benzyl(ethyl)amino]-N-(4-chlorophenyl)pyrimidine-4-carboxamide
SMILESCCN(Cc1ccccc1)c1nccc(C(=O)Nc2ccc(Cl)cc2)n1
InChIInChI=1S/C20H19ClN4O/c1-2-25(14-15-6-4-3-5-7-15)20-22-13-12-18(24-20)19(26)23-17-10-8-16(21)9-11-17/h3-13H,2,14H2,1H3,(H,23,26)
InChIKeyZUKYPEIVSZSTPF-UHFFFAOYSA-N
XLogP4.41
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.85
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[benzyl(ethyl)amino]-N-(3,4-difluorophenyl)pyrimidine-4-carboxamide
CID 109306779
2-[benzyl(ethyl)amino]-N-(4-chlorophenyl)pyridine-4-carboxamide
CID 109171588
2-[benzyl(ethyl)amino]-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 109306729
2-(diethylamino)-N-(4-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 109310729
2-[benzyl(methyl)amino]-N-(3,5-dichlorophenyl)pyrimidine-4-carboxamide
CID 109305096
2-[benzyl(methyl)amino]-N-(4-tert-butylphenyl)pyrimidine-4-carboxamide
CID 109305045
2-[benzyl(ethyl)amino]-N-cyclohexylpyrimidine-4-carboxamide
CID 109298800
N-[(4-chlorophenyl)methyl]-2-(diethylamino)pyrimidine-4-carboxamide
CID 109306052
2-[benzyl(ethyl)amino]-N-(2,5-dimethoxyphenyl)pyrimidine-4-carboxamide
CID 109306756
2-[benzyl(ethyl)amino]-N-[(4-methoxyphenyl)methyl]pyrimidine-4-carboxamide
CID 109306437
2-[benzyl(ethyl)amino]-N-(4-fluorophenyl)-6-methylpyrimidine-4-carboxamide
CID 109329511
2-[benzyl(ethyl)amino]-N-(4-ethoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109329524

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(ethyl)amino]-N-(4-chlorophenyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-[benzyl(ethyl)amino]-N-(4-chlorophenyl)pyrimidine-4-carboxamide (CID 109306739) is 2-[benzyl(ethyl)amino]-N-(4-chlorophenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-[benzyl(ethyl)amino]-N-(4-chlorophenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-[benzyl(ethyl)amino]-N-(4-chlorophenyl)pyrimidine-4-carboxamide is CCN(Cc1ccccc1)c1nccc(C(=O)Nc2ccc(Cl)cc2)n1.
What is the InChIKey of 2-[benzyl(ethyl)amino]-N-(4-chlorophenyl)pyrimidine-4-carboxamide?
The InChIKey is ZUKYPEIVSZSTPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O/c1-2-25(14-15-6-4-3-5-7-15)20-22-13-12-18(24-20)19(26)23-17-10-8-16(21)9-11-17/h3-13H,2,14H2,1H3,(H,23,26).
What are the key properties of 2-[benzyl(ethyl)amino]-N-(4-chlorophenyl)pyrimidine-4-carboxamide?
2-[benzyl(ethyl)amino]-N-(4-chlorophenyl)pyrimidine-4-carboxamide has a molecular weight of 366.85 g/mol, XLogP of 4.41, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(ethyl)amino]-N-(4-chlorophenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109306739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).