2-[4-[[2-(3-chlorophenyl)-6-ethylpyrimidin-4-yl]amino]phenyl]acetamide

C20H19ClN4O — CID 90111742

IUPAC2-[4-[[2-(3-chlorophenyl)-6-ethylpyrimidin-4-yl]amino]phenyl]acetamide
SMILESCCc1cc(Nc2ccc(CC(N)=O)cc2)nc(-c2cccc(Cl)c2)n1
InChIInChI=1S/C20H19ClN4O/c1-2-16-12-19(23-17-8-6-13(7-9-17)10-18(22)26)25-20(24-16)14-4-3-5-15(21)11-14/h3-9,11-12H,2,10H2,1H3,(H2,22,26)(H,23,24,25)
InChIKeyWPXONIAMQOCKBO-UHFFFAOYSA-N
MW366.85 g/mol
LogP4.13
Rot. Bonds6

About 2-[4-[[2-(3-chlorophenyl)-6-ethylpyrimidin-4-yl]amino]phenyl]acetamide

2-[4-[[2-(3-chlorophenyl)-6-ethylpyrimidin-4-yl]amino]phenyl]acetamide (PubChem CID 90111742) has the molecular formula C20H19ClN4O and a molecular weight of 366.85 g/mol. Its IUPAC name is 2-[4-[[2-(3-chlorophenyl)-6-ethylpyrimidin-4-yl]amino]phenyl]acetamide.

Molecular Properties

Compound Name2-[4-[[2-(3-chlorophenyl)-6-ethylpyrimidin-4-yl]amino]phenyl]acetamide
PubChem CID90111742
Molecular FormulaC20H19ClN4O
Molecular Weight366.85 g/mol
Exact Mass366.12
IUPAC Name2-[4-[[2-(3-chlorophenyl)-6-ethylpyrimidin-4-yl]amino]phenyl]acetamide
SMILESCCc1cc(Nc2ccc(CC(N)=O)cc2)nc(-c2cccc(Cl)c2)n1
InChIInChI=1S/C20H19ClN4O/c1-2-16-12-19(23-17-8-6-13(7-9-17)10-18(22)26)25-20(24-16)14-4-3-5-15(21)11-14/h3-9,11-12H,2,10H2,1H3,(H2,22,26)(H,23,24,25)
InChIKeyWPXONIAMQOCKBO-UHFFFAOYSA-N
XLogP4.13
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.85
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4,6-diphenylpyrimidin-2-yl)-3-chlorobenzamide
CID 11234532
N-(2,6-diphenylpyrimidin-4-yl)isobutyramide
CID 11313151
N-(2,6-diphenylpyrimidin-4-yl)butyramide
CID 11359018
N-(2,6-diphenylpyrimidin-4-yl)-2-ethylbutyramide
CID 11371386
N-(2,6-Diphenylpyrimidin-4-YL)-2-methylbutanamide
CID 11427528
N-(2,6-diphenylpyrimidin-4-yl)propionamide
CID 11438116
N-(2,6-Diphenylpyrimidin-4-YL)-3,3-dimethylbutanamide
CID 11462102
N-(2,6-diphenylpyrimidin-4-yl)-3-methylbutyramide
CID 11739042
2-(4-{[4-(3-Chlorophenyl)-6-ethyl-1,3,5-triazin-2-yl]amino}phenyl)acetamide
CID 74221360
2-(4-{[2-(3-Chlorophenyl)-6-ethylpyrimidin-4-yl]methyl}phenyl)acetamide
CID 74221424
2-(4-((2-(3-chlorophenyl)-6-ethylpyrimidin-4-yl)methyl)phenyl)-N-(2-hydroxyethyl)acetamide
CID 90112663
2-(2-chloro-6-fluorophenyl)-N-(6-methylpyridin-2-yl)acetamide
CID 841917

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[2-(3-chlorophenyl)-6-ethylpyrimidin-4-yl]amino]phenyl]acetamide?
The IUPAC name of 2-[4-[[2-(3-chlorophenyl)-6-ethylpyrimidin-4-yl]amino]phenyl]acetamide (CID 90111742) is 2-[4-[[2-(3-chlorophenyl)-6-ethylpyrimidin-4-yl]amino]phenyl]acetamide.
What is the SMILES notation for 2-[4-[[2-(3-chlorophenyl)-6-ethylpyrimidin-4-yl]amino]phenyl]acetamide?
The canonical SMILES for 2-[4-[[2-(3-chlorophenyl)-6-ethylpyrimidin-4-yl]amino]phenyl]acetamide is CCc1cc(Nc2ccc(CC(N)=O)cc2)nc(-c2cccc(Cl)c2)n1.
What is the InChIKey of 2-[4-[[2-(3-chlorophenyl)-6-ethylpyrimidin-4-yl]amino]phenyl]acetamide?
The InChIKey is WPXONIAMQOCKBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O/c1-2-16-12-19(23-17-8-6-13(7-9-17)10-18(22)26)25-20(24-16)14-4-3-5-15(21)11-14/h3-9,11-12H,2,10H2,1H3,(H2,22,26)(H,23,24,25).
What are the key properties of 2-[4-[[2-(3-chlorophenyl)-6-ethylpyrimidin-4-yl]amino]phenyl]acetamide?
2-[4-[[2-(3-chlorophenyl)-6-ethylpyrimidin-4-yl]amino]phenyl]acetamide has a molecular weight of 366.85 g/mol, XLogP of 4.13, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[2-(3-chlorophenyl)-6-ethylpyrimidin-4-yl]amino]phenyl]acetamide is sourced from PubChem (CID 90111742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).