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

C17H15FN4O — CID 135433523

IUPAC2-[2-(4-fluorophenyl)ethylamino]-4-pyridin-4-yl-1H-pyrimidin-6-one
SMILESO=c1cc(-c2ccncc2)nc(NCCc2ccc(F)cc2)[nH]1
InChIInChI=1S/C17H15FN4O/c18-14-3-1-12(2-4-14)5-10-20-17-21-15(11-16(23)22-17)13-6-8-19-9-7-13/h1-4,6-9,11H,5,10H2,(H2,20,21,22,23)
InChIKeyGZFMSWTWZOWNCR-UHFFFAOYSA-N
MW310.33 g/mol
LogP2.63
Rot. Bonds5

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

2-[2-(4-fluorophenyl)ethylamino]-4-pyridin-4-yl-1H-pyrimidin-6-one (PubChem CID 135433523) has the molecular formula C17H15FN4O and a molecular weight of 310.33 g/mol. Its IUPAC name is 2-[2-(4-fluorophenyl)ethylamino]-4-pyridin-4-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[2-(4-fluorophenyl)ethylamino]-4-pyridin-4-yl-1H-pyrimidin-6-one
PubChem CID135433523
Molecular FormulaC17H15FN4O
Molecular Weight310.33 g/mol
Exact Mass310.12
IUPAC Name2-[2-(4-fluorophenyl)ethylamino]-4-pyridin-4-yl-1H-pyrimidin-6-one
SMILESO=c1cc(-c2ccncc2)nc(NCCc2ccc(F)cc2)[nH]1
InChIInChI=1S/C17H15FN4O/c18-14-3-1-12(2-4-14)5-10-20-17-21-15(11-16(23)22-17)13-6-8-19-9-7-13/h1-4,6-9,11H,5,10H2,(H2,20,21,22,23)
InChIKeyGZFMSWTWZOWNCR-UHFFFAOYSA-N
XLogP2.63
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.33
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(4-methoxyphenyl)ethylamino]-4-pyridin-4-yl-1H-pyrimidin-6-one
CID 135406996
2-(3-naphthalen-2-ylpropylamino)-4-pyridin-4-yl-1H-pyrimidin-6-one
CID 135443433
4-pyridin-4-yl-2-[[4-(trifluoromethyl)phenyl]methylamino]-1H-pyrimidin-6-one
CID 135484464
2-(2-methoxyethylamino)-4-pyridin-4-yl-1H-pyrimidin-6-one
CID 136741034
2-[(3,4-dimethoxyphenyl)methylamino]-4-pyridin-4-yl-1H-pyrimidin-6-one
CID 135484550
tert-butyl N-[[3-[[(6-oxo-4-pyridin-4-yl-1H-pyrimidin-2-yl)amino]methyl]phenyl]methyl]carbamate
CID 135542913
2-[2-(4-fluorophenyl)ethylamino]-5,7-dihydro-3H-thieno[3,4-d]pyrimidin-4-one
CID 136780325
4-methyl-2-(2-phenylethylamino)-1H-pyrimidin-6-one
CID 135527667
2-[2-(2-chlorophenyl)ethylamino]-5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrimidin-6-one
CID 135703021
2-(6-aminohexylamino)-4-phenyl-1H-pyrimidin-6-one
CID 136925145
5-(4-fluorophenyl)-N-[2-(4-fluorophenyl)ethyl]-4-pyridin-4-ylpyrimidin-2-amine
CID 23000432
6-bromo-N-[2-(4-fluorophenyl)ethyl]-1H-benzimidazol-2-amine
CID 82563510

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluorophenyl)ethylamino]-4-pyridin-4-yl-1H-pyrimidin-6-one?
The IUPAC name of 2-[2-(4-fluorophenyl)ethylamino]-4-pyridin-4-yl-1H-pyrimidin-6-one (CID 135433523) is 2-[2-(4-fluorophenyl)ethylamino]-4-pyridin-4-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[2-(4-fluorophenyl)ethylamino]-4-pyridin-4-yl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[2-(4-fluorophenyl)ethylamino]-4-pyridin-4-yl-1H-pyrimidin-6-one is O=c1cc(-c2ccncc2)nc(NCCc2ccc(F)cc2)[nH]1.
What is the InChIKey of 2-[2-(4-fluorophenyl)ethylamino]-4-pyridin-4-yl-1H-pyrimidin-6-one?
The InChIKey is GZFMSWTWZOWNCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN4O/c18-14-3-1-12(2-4-14)5-10-20-17-21-15(11-16(23)22-17)13-6-8-19-9-7-13/h1-4,6-9,11H,5,10H2,(H2,20,21,22,23).
What are the key properties of 2-[2-(4-fluorophenyl)ethylamino]-4-pyridin-4-yl-1H-pyrimidin-6-one?
2-[2-(4-fluorophenyl)ethylamino]-4-pyridin-4-yl-1H-pyrimidin-6-one has a molecular weight of 310.33 g/mol, XLogP of 2.63, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluorophenyl)ethylamino]-4-pyridin-4-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 135433523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).