5-chloro-4-[(3-chloro-2-pyridinyl)sulfanyl]-1H-pyrimidin-6-one

C9H5Cl2N3OS — CID 114791282

IUPAC5-chloro-4-[(3-chloro-2-pyridinyl)sulfanyl]-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(Sc2ncccc2Cl)c1Cl
InChIInChI=1S/C9H5Cl2N3OS/c10-5-2-1-3-12-8(5)16-9-6(11)7(15)13-4-14-9/h1-4H,(H,13,14,15)
InChIKeyALIWFKGMWRYLDN-UHFFFAOYSA-N
MW274.13 g/mol
LogP2.62
Rot. Bonds2

About 5-chloro-4-[(3-chloro-2-pyridinyl)sulfanyl]-1H-pyrimidin-6-one

5-chloro-4-[(3-chloro-2-pyridinyl)sulfanyl]-1H-pyrimidin-6-one (PubChem CID 114791282) has the molecular formula C9H5Cl2N3OS and a molecular weight of 274.13 g/mol. Its IUPAC name is 5-chloro-4-[(3-chloro-2-pyridinyl)sulfanyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-chloro-4-[(3-chloro-2-pyridinyl)sulfanyl]-1H-pyrimidin-6-one
PubChem CID114791282
Molecular FormulaC9H5Cl2N3OS
Molecular Weight274.13 g/mol
Exact Mass272.95
IUPAC Name5-chloro-4-[(3-chloro-2-pyridinyl)sulfanyl]-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(Sc2ncccc2Cl)c1Cl
InChIInChI=1S/C9H5Cl2N3OS/c10-5-2-1-3-12-8(5)16-9-6(11)7(15)13-4-14-9/h1-4H,(H,13,14,15)
InChIKeyALIWFKGMWRYLDN-UHFFFAOYSA-N
XLogP2.62
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.13
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-chloro-4-[(3-chloro-2-pyridinyl)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-pyridin-2-ylsulfanyl-1H-pyrimidin-6-one
CID 114791008
5-chloro-4-(4-methylphenyl)sulfanyl-1H-pyrimidin-6-one
CID 114790969
5-chloro-4-(3-fluorophenyl)sulfanyl-1H-pyrimidin-6-one
CID 114791314
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
6-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)sulfanyl]pyridine-3-carboxylic acid
CID 114574008
2,3,5-trichloro-6-[(3-chloro-2-pyridinyl)sulfanyl]pyridine
CID 102752380
3-chloro-2-[(3-chloro-2-pyridinyl)sulfanyl]-N'-hydroxypyridine-4-carboximidamide
CID 136739877
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-bromo-5-[(3-chloro-2-pyridinyl)sulfanyl]-1,3,4-thiadiazole
CID 64623723
5-chloro-4-(oxetan-3-ylsulfanyl)-1H-pyrimidin-6-one
CID 114791303

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[(3-chloro-2-pyridinyl)sulfanyl]-1H-pyrimidin-6-one?
The IUPAC name of 5-chloro-4-[(3-chloro-2-pyridinyl)sulfanyl]-1H-pyrimidin-6-one (CID 114791282) is 5-chloro-4-[(3-chloro-2-pyridinyl)sulfanyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-chloro-4-[(3-chloro-2-pyridinyl)sulfanyl]-1H-pyrimidin-6-one?
The canonical SMILES for 5-chloro-4-[(3-chloro-2-pyridinyl)sulfanyl]-1H-pyrimidin-6-one is O=c1[nH]cnc(Sc2ncccc2Cl)c1Cl.
What is the InChIKey of 5-chloro-4-[(3-chloro-2-pyridinyl)sulfanyl]-1H-pyrimidin-6-one?
The InChIKey is ALIWFKGMWRYLDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5Cl2N3OS/c10-5-2-1-3-12-8(5)16-9-6(11)7(15)13-4-14-9/h1-4H,(H,13,14,15).
What are the key properties of 5-chloro-4-[(3-chloro-2-pyridinyl)sulfanyl]-1H-pyrimidin-6-one?
5-chloro-4-[(3-chloro-2-pyridinyl)sulfanyl]-1H-pyrimidin-6-one has a molecular weight of 274.13 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[(3-chloro-2-pyridinyl)sulfanyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 114791282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).