2-[2-(2-chlorophenyl)ethylamino]-5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrimidin-6-one

C23H18ClFN4O — CID 135703021

IUPAC2-[2-(2-chlorophenyl)ethylamino]-5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrimidin-6-one
SMILESO=c1[nH]c(NCCc2ccccc2Cl)nc(-c2ccncc2)c1-c1ccc(F)cc1
InChIInChI=1S/C23H18ClFN4O/c24-19-4-2-1-3-15(19)11-14-27-23-28-21(17-9-12-26-13-10-17)20(22(30)29-23)16-5-7-18(25)8-6-16/h1-10,12-13H,11,14H2,(H2,27,28,29,30)
InChIKeyAQASPACMJACZAD-UHFFFAOYSA-N
MW420.88 g/mol
LogP4.95
Rot. Bonds6

About 2-[2-(2-chlorophenyl)ethylamino]-5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrimidin-6-one

2-[2-(2-chlorophenyl)ethylamino]-5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrimidin-6-one (PubChem CID 135703021) has the molecular formula C23H18ClFN4O and a molecular weight of 420.88 g/mol. Its IUPAC name is 2-[2-(2-chlorophenyl)ethylamino]-5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[2-(2-chlorophenyl)ethylamino]-5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrimidin-6-one
PubChem CID135703021
Molecular FormulaC23H18ClFN4O
Molecular Weight420.88 g/mol
Exact Mass420.12
IUPAC Name2-[2-(2-chlorophenyl)ethylamino]-5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrimidin-6-one
SMILESO=c1[nH]c(NCCc2ccccc2Cl)nc(-c2ccncc2)c1-c1ccc(F)cc1
InChIInChI=1S/C23H18ClFN4O/c24-19-4-2-1-3-15(19)11-14-27-23-28-21(17-9-12-26-13-10-17)20(22(30)29-23)16-5-7-18(25)8-6-16/h1-10,12-13H,11,14H2,(H2,27,28,29,30)
InChIKeyAQASPACMJACZAD-UHFFFAOYSA-N
XLogP4.95
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.88
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-fluorophenyl)-2-(4-phenylbutan-2-ylamino)-4-pyridin-4-yl-1H-pyrimidin-6-one
CID 135703020
2-[(3,5-dichlorophenyl)methyl]-5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrimidin-6-one
CID 135581427
2-[[2-amino-3-(2-chlorophenyl)propyl]amino]-5-(4-fluorophenyl)-3-methyl-6-pyridin-4-ylpyrimidin-4-one
CID 18767902
2-[2-(4-fluorophenyl)ethylamino]-4-pyridin-4-yl-1H-pyrimidin-6-one
CID 135433523
5-(4-fluorophenyl)-2-(2-phenoxyethylsulfanyl)-4-pyridin-4-yl-1H-pyrimidin-6-one
CID 135703022
2-(2-chlorophenyl)-N-[3-(4-fluorophenyl)-1-(2-hydroxyethyl)-4-pyridin-4-ylpyrazol-5-yl]acetamide
CID 18674061
N-[2-(2-chlorophenyl)ethyl]-4-(4-fluorophenyl)-5-(1H-imidazol-2-yl)pyrimidin-2-amine
CID 46951008
2-(2-anilinoethylamino)-5-(4-fluorophenyl)-3-methyl-6-pyridin-4-ylpyrimidin-4-one
CID 18767896
4-chloro-2-(4-fluorophenyl)-3-pyridin-4-ylquinoline
CID 139651658
5-(4-fluorophenyl)-3-methyl-2-(4-phenylbutan-2-ylamino)-6-pyridin-4-ylpyrimidin-4-one
CID 18767931
2-(3,3-diphenylpropylamino)-5-(4-fluorophenyl)-3-methyl-6-pyridin-4-ylpyrimidin-4-one
CID 18767912
3-(4-fluorophenyl)-2-pyridin-4-yl-5H-pyrido[2,3-b]pyrazin-6-one
CID 154657060

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-chlorophenyl)ethylamino]-5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrimidin-6-one?
The IUPAC name of 2-[2-(2-chlorophenyl)ethylamino]-5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrimidin-6-one (CID 135703021) is 2-[2-(2-chlorophenyl)ethylamino]-5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[2-(2-chlorophenyl)ethylamino]-5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[2-(2-chlorophenyl)ethylamino]-5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrimidin-6-one is O=c1[nH]c(NCCc2ccccc2Cl)nc(-c2ccncc2)c1-c1ccc(F)cc1.
What is the InChIKey of 2-[2-(2-chlorophenyl)ethylamino]-5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrimidin-6-one?
The InChIKey is AQASPACMJACZAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClFN4O/c24-19-4-2-1-3-15(19)11-14-27-23-28-21(17-9-12-26-13-10-17)20(22(30)29-23)16-5-7-18(25)8-6-16/h1-10,12-13H,11,14H2,(H2,27,28,29,30).
What are the key properties of 2-[2-(2-chlorophenyl)ethylamino]-5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrimidin-6-one?
2-[2-(2-chlorophenyl)ethylamino]-5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrimidin-6-one has a molecular weight of 420.88 g/mol, XLogP of 4.95, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-chlorophenyl)ethylamino]-5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 135703021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).