5-chloro-4-(3-fluorophenyl)sulfanyl-1H-pyrimidin-6-one

C10H6ClFN2OS — CID 114791314

IUPAC5-chloro-4-(3-fluorophenyl)sulfanyl-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(Sc2cccc(F)c2)c1Cl
InChIInChI=1S/C10H6ClFN2OS/c11-8-9(15)13-5-14-10(8)16-7-3-1-2-6(12)4-7/h1-5H,(H,13,14,15)
InChIKeyJCQDZZAVJDMLEX-UHFFFAOYSA-N
MW256.69 g/mol
LogP2.71
Rot. Bonds2

About 5-chloro-4-(3-fluorophenyl)sulfanyl-1H-pyrimidin-6-one

5-chloro-4-(3-fluorophenyl)sulfanyl-1H-pyrimidin-6-one (PubChem CID 114791314) has the molecular formula C10H6ClFN2OS and a molecular weight of 256.69 g/mol. Its IUPAC name is 5-chloro-4-(3-fluorophenyl)sulfanyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-chloro-4-(3-fluorophenyl)sulfanyl-1H-pyrimidin-6-one
PubChem CID114791314
Molecular FormulaC10H6ClFN2OS
Molecular Weight256.69 g/mol
Exact Mass255.99
IUPAC Name5-chloro-4-(3-fluorophenyl)sulfanyl-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(Sc2cccc(F)c2)c1Cl
InChIInChI=1S/C10H6ClFN2OS/c11-8-9(15)13-5-14-10(8)16-7-3-1-2-6(12)4-7/h1-5H,(H,13,14,15)
InChIKeyJCQDZZAVJDMLEX-UHFFFAOYSA-N
XLogP2.71
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.69
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-chloro-4-(3-fluorophenyl)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

Related Compounds

5-chloro-4-(4-methylphenyl)sulfanyl-1H-pyrimidin-6-one
CID 114790969
4-(4-tert-butylphenyl)sulfanyl-5-chloro-1H-pyrimidin-6-one
CID 114791065
4-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)sulfanyl]thiophene-2-carboxylic acid
CID 114574122
5-chloro-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-1H-pyrimidin-6-one
CID 114791347
5-chloro-4-pyridin-2-ylsulfanyl-1H-pyrimidin-6-one
CID 114791008
5-chloro-4-[(3-chloro-2-pyridinyl)sulfanyl]-1H-pyrimidin-6-one
CID 114791282
5-bromo-4-(3,4-difluorophenyl)sulfanyl-1H-pyrimidin-6-one
CID 114791075
3-chloro-2-(3-fluorophenyl)sulfanyl-N'-hydroxypyridine-4-carboximidamide
CID 136739884
5-chloro-4-(3-methylsulfanylanilino)-1H-pyrimidin-6-one
CID 136970486
5-chloro-4-(3-methylbutan-2-ylsulfanyl)-1H-pyrimidin-6-one
CID 107754027
5-chloro-4-(2,5-dimethylpyrazol-3-yl)sulfanyl-1H-pyrimidin-6-one
CID 114791175
2-chloro-4-(3-fluorophenyl)sulfanyl-6-methyl-5-nitropyrimidine
CID 114044437

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(3-fluorophenyl)sulfanyl-1H-pyrimidin-6-one?
The IUPAC name of 5-chloro-4-(3-fluorophenyl)sulfanyl-1H-pyrimidin-6-one (CID 114791314) is 5-chloro-4-(3-fluorophenyl)sulfanyl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-chloro-4-(3-fluorophenyl)sulfanyl-1H-pyrimidin-6-one?
The canonical SMILES for 5-chloro-4-(3-fluorophenyl)sulfanyl-1H-pyrimidin-6-one is O=c1[nH]cnc(Sc2cccc(F)c2)c1Cl.
What is the InChIKey of 5-chloro-4-(3-fluorophenyl)sulfanyl-1H-pyrimidin-6-one?
The InChIKey is JCQDZZAVJDMLEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClFN2OS/c11-8-9(15)13-5-14-10(8)16-7-3-1-2-6(12)4-7/h1-5H,(H,13,14,15).
What are the key properties of 5-chloro-4-(3-fluorophenyl)sulfanyl-1H-pyrimidin-6-one?
5-chloro-4-(3-fluorophenyl)sulfanyl-1H-pyrimidin-6-one has a molecular weight of 256.69 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(3-fluorophenyl)sulfanyl-1H-pyrimidin-6-one is sourced from PubChem (CID 114791314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).