2-[(2-fluorophenyl)sulfanylmethyl]-4-hydroxy-5-propyl-1H-pyrimidin-6-one

C14H15FN2O2S — CID 66051499

IUPAC2-[(2-fluorophenyl)sulfanylmethyl]-4-hydroxy-5-propyl-1H-pyrimidin-6-one
SMILESCCCc1c(O)nc(CSc2ccccc2F)[nH]c1=O
InChIInChI=1S/C14H15FN2O2S/c1-2-5-9-13(18)16-12(17-14(9)19)8-20-11-7-4-3-6-10(11)15/h3-4,6-7H,2,5,8H2,1H3,(H2,16,17,18,19)
InChIKeyKVKQIUHFTHJRFB-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.86
Rot. Bonds5

About 2-[(2-fluorophenyl)sulfanylmethyl]-4-hydroxy-5-propyl-1H-pyrimidin-6-one

2-[(2-fluorophenyl)sulfanylmethyl]-4-hydroxy-5-propyl-1H-pyrimidin-6-one (PubChem CID 66051499) has the molecular formula C14H15FN2O2S and a molecular weight of 294.35 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)sulfanylmethyl]-4-hydroxy-5-propyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[(2-fluorophenyl)sulfanylmethyl]-4-hydroxy-5-propyl-1H-pyrimidin-6-one
PubChem CID66051499
Molecular FormulaC14H15FN2O2S
Molecular Weight294.35 g/mol
Exact Mass294.08
IUPAC Name2-[(2-fluorophenyl)sulfanylmethyl]-4-hydroxy-5-propyl-1H-pyrimidin-6-one
SMILESCCCc1c(O)nc(CSc2ccccc2F)[nH]c1=O
InChIInChI=1S/C14H15FN2O2S/c1-2-5-9-13(18)16-12(17-14(9)19)8-20-11-7-4-3-6-10(11)15/h3-4,6-7H,2,5,8H2,1H3,(H2,16,17,18,19)
InChIKeyKVKQIUHFTHJRFB-UHFFFAOYSA-N
XLogP2.86
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(2-fluorophenyl)sulfanylmethyl]-4-hydroxy-5-propyl-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenyl)sulfanylmethyl]-4-hydroxy-5-propyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[(2-fluorophenyl)sulfanylmethyl]-4-hydroxy-5-propyl-1H-pyrimidin-6-one (CID 66051499) is 2-[(2-fluorophenyl)sulfanylmethyl]-4-hydroxy-5-propyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[(2-fluorophenyl)sulfanylmethyl]-4-hydroxy-5-propyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[(2-fluorophenyl)sulfanylmethyl]-4-hydroxy-5-propyl-1H-pyrimidin-6-one is CCCc1c(O)nc(CSc2ccccc2F)[nH]c1=O.
What is the InChIKey of 2-[(2-fluorophenyl)sulfanylmethyl]-4-hydroxy-5-propyl-1H-pyrimidin-6-one?
The InChIKey is KVKQIUHFTHJRFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O2S/c1-2-5-9-13(18)16-12(17-14(9)19)8-20-11-7-4-3-6-10(11)15/h3-4,6-7H,2,5,8H2,1H3,(H2,16,17,18,19).
What are the key properties of 2-[(2-fluorophenyl)sulfanylmethyl]-4-hydroxy-5-propyl-1H-pyrimidin-6-one?
2-[(2-fluorophenyl)sulfanylmethyl]-4-hydroxy-5-propyl-1H-pyrimidin-6-one has a molecular weight of 294.35 g/mol, XLogP of 2.86, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorophenyl)sulfanylmethyl]-4-hydroxy-5-propyl-1H-pyrimidin-6-one is sourced from PubChem (CID 66051499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).