2-(1-aminocyclopentyl)-5-(4-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one

C15H16FN3O2 — CID 79432801

IUPAC2-(1-aminocyclopentyl)-5-(4-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one
SMILESNC1(c2nc(O)c(-c3ccc(F)cc3)c(=O)[nH]2)CCCC1
InChIInChI=1S/C15H16FN3O2/c16-10-5-3-9(4-6-10)11-12(20)18-14(19-13(11)21)15(17)7-1-2-8-15/h3-6H,1-2,7-8,17H2,(H2,18,19,20,21)
InChIKeyUHTBTIYXKXHUSX-UHFFFAOYSA-N
MW289.31 g/mol
LogP2.01
Rot. Bonds2

About 2-(1-aminocyclopentyl)-5-(4-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one

2-(1-aminocyclopentyl)-5-(4-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one (PubChem CID 79432801) has the molecular formula C15H16FN3O2 and a molecular weight of 289.31 g/mol. Its IUPAC name is 2-(1-aminocyclopentyl)-5-(4-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(1-aminocyclopentyl)-5-(4-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one
PubChem CID79432801
Molecular FormulaC15H16FN3O2
Molecular Weight289.31 g/mol
Exact Mass289.12
IUPAC Name2-(1-aminocyclopentyl)-5-(4-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one
SMILESNC1(c2nc(O)c(-c3ccc(F)cc3)c(=O)[nH]2)CCCC1
InChIInChI=1S/C15H16FN3O2/c16-10-5-3-9(4-6-10)11-12(20)18-14(19-13(11)21)15(17)7-1-2-8-15/h3-6H,1-2,7-8,17H2,(H2,18,19,20,21)
InChIKeyUHTBTIYXKXHUSX-UHFFFAOYSA-N
XLogP2.01
TPSA92.00 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 52.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-aminocyclopentyl)-5-(4-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one?
The IUPAC name of 2-(1-aminocyclopentyl)-5-(4-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one (CID 79432801) is 2-(1-aminocyclopentyl)-5-(4-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(1-aminocyclopentyl)-5-(4-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one?
The canonical SMILES for 2-(1-aminocyclopentyl)-5-(4-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one is NC1(c2nc(O)c(-c3ccc(F)cc3)c(=O)[nH]2)CCCC1.
What is the InChIKey of 2-(1-aminocyclopentyl)-5-(4-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one?
The InChIKey is UHTBTIYXKXHUSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O2/c16-10-5-3-9(4-6-10)11-12(20)18-14(19-13(11)21)15(17)7-1-2-8-15/h3-6H,1-2,7-8,17H2,(H2,18,19,20,21).
What are the key properties of 2-(1-aminocyclopentyl)-5-(4-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one?
2-(1-aminocyclopentyl)-5-(4-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one has a molecular weight of 289.31 g/mol, XLogP of 2.01, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminocyclopentyl)-5-(4-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one is sourced from PubChem (CID 79432801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).