2-(6-fluoropyrimidin-4-yl)sulfanyl-1H-pyrimidin-6-one

C8H5FN4OS — CID 115417278

IUPAC2-(6-fluoropyrimidin-4-yl)sulfanyl-1H-pyrimidin-6-one
SMILESO=c1ccnc(Sc2cc(F)ncn2)[nH]1
InChIInChI=1S/C8H5FN4OS/c9-5-3-7(12-4-11-5)15-8-10-2-1-6(14)13-8/h1-4H,(H,10,13,14)
InChIKeyNZIBVOONFRSFAL-UHFFFAOYSA-N
MW224.22 g/mol
LogP0.85
Rot. Bonds2

About 2-(6-fluoropyrimidin-4-yl)sulfanyl-1H-pyrimidin-6-one

2-(6-fluoropyrimidin-4-yl)sulfanyl-1H-pyrimidin-6-one (PubChem CID 115417278) has the molecular formula C8H5FN4OS and a molecular weight of 224.22 g/mol. Its IUPAC name is 2-(6-fluoropyrimidin-4-yl)sulfanyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(6-fluoropyrimidin-4-yl)sulfanyl-1H-pyrimidin-6-one
PubChem CID115417278
Molecular FormulaC8H5FN4OS
Molecular Weight224.22 g/mol
Exact Mass224.02
IUPAC Name2-(6-fluoropyrimidin-4-yl)sulfanyl-1H-pyrimidin-6-one
SMILESO=c1ccnc(Sc2cc(F)ncn2)[nH]1
InChIInChI=1S/C8H5FN4OS/c9-5-3-7(12-4-11-5)15-8-10-2-1-6(14)13-8/h1-4H,(H,10,13,14)
InChIKeyNZIBVOONFRSFAL-UHFFFAOYSA-N
XLogP0.85
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(6-fluoropyrimidin-4-yl)sulfanyl-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-(6-fluoropyrimidin-4-yl)sulfanyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(6-fluoropyrimidin-4-yl)sulfanyl-1H-pyrimidin-6-one (CID 115417278) is 2-(6-fluoropyrimidin-4-yl)sulfanyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(6-fluoropyrimidin-4-yl)sulfanyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(6-fluoropyrimidin-4-yl)sulfanyl-1H-pyrimidin-6-one is O=c1ccnc(Sc2cc(F)ncn2)[nH]1.
What is the InChIKey of 2-(6-fluoropyrimidin-4-yl)sulfanyl-1H-pyrimidin-6-one?
The InChIKey is NZIBVOONFRSFAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5FN4OS/c9-5-3-7(12-4-11-5)15-8-10-2-1-6(14)13-8/h1-4H,(H,10,13,14).
What are the key properties of 2-(6-fluoropyrimidin-4-yl)sulfanyl-1H-pyrimidin-6-one?
2-(6-fluoropyrimidin-4-yl)sulfanyl-1H-pyrimidin-6-one has a molecular weight of 224.22 g/mol, XLogP of 0.85, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-fluoropyrimidin-4-yl)sulfanyl-1H-pyrimidin-6-one is sourced from PubChem (CID 115417278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).