5-chloro-4-pyridin-2-ylsulfanyl-1H-pyrimidin-6-one

C9H6ClN3OS — CID 114791008

IUPAC5-chloro-4-pyridin-2-ylsulfanyl-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(Sc2ccccn2)c1Cl
InChIInChI=1S/C9H6ClN3OS/c10-7-8(14)12-5-13-9(7)15-6-3-1-2-4-11-6/h1-5H,(H,12,13,14)
InChIKeyMVCXFXIKJIUEBP-UHFFFAOYSA-N
MW239.69 g/mol
LogP1.97
Rot. Bonds2

About 5-chloro-4-pyridin-2-ylsulfanyl-1H-pyrimidin-6-one

5-chloro-4-pyridin-2-ylsulfanyl-1H-pyrimidin-6-one (PubChem CID 114791008) has the molecular formula C9H6ClN3OS and a molecular weight of 239.69 g/mol. Its IUPAC name is 5-chloro-4-pyridin-2-ylsulfanyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-chloro-4-pyridin-2-ylsulfanyl-1H-pyrimidin-6-one
PubChem CID114791008
Molecular FormulaC9H6ClN3OS
Molecular Weight239.69 g/mol
Exact Mass238.99
IUPAC Name5-chloro-4-pyridin-2-ylsulfanyl-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(Sc2ccccn2)c1Cl
InChIInChI=1S/C9H6ClN3OS/c10-7-8(14)12-5-13-9(7)15-6-3-1-2-4-11-6/h1-5H,(H,12,13,14)
InChIKeyMVCXFXIKJIUEBP-UHFFFAOYSA-N
XLogP1.97
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.69
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-4-[(3-chloro-2-pyridinyl)sulfanyl]-1H-pyrimidin-6-one
CID 114791282
6-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)sulfanyl]pyridine-3-carboxylic acid
CID 114574008
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
3,4-bis(pyridin-2-ylsulfanyl)pyrrole-2,5-dione
CID 66927458
3-chloro-4,5-dimethyl-6-pyridin-2-ylsulfanylpyridazine
CID 63272351
5-chloro-4-(3-methylbutan-2-ylsulfanyl)-1H-pyrimidin-6-one
CID 107754027
3-pyridin-2-ylsulfanyl-1H-pyrazine-2-thione
CID 173359616
5-chloro-4-(2,5-dimethylpyrazol-3-yl)sulfanyl-1H-pyrimidin-6-one
CID 114791175
5-chloro-4-(oxetan-3-ylsulfanyl)-1H-pyrimidin-6-one
CID 114791303
6-chloro-2-pyridin-2-ylsulfanylpyridin-3-amine
CID 115474582

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-pyridin-2-ylsulfanyl-1H-pyrimidin-6-one?
The IUPAC name of 5-chloro-4-pyridin-2-ylsulfanyl-1H-pyrimidin-6-one (CID 114791008) is 5-chloro-4-pyridin-2-ylsulfanyl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-chloro-4-pyridin-2-ylsulfanyl-1H-pyrimidin-6-one?
The canonical SMILES for 5-chloro-4-pyridin-2-ylsulfanyl-1H-pyrimidin-6-one is O=c1[nH]cnc(Sc2ccccn2)c1Cl.
What is the InChIKey of 5-chloro-4-pyridin-2-ylsulfanyl-1H-pyrimidin-6-one?
The InChIKey is MVCXFXIKJIUEBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClN3OS/c10-7-8(14)12-5-13-9(7)15-6-3-1-2-4-11-6/h1-5H,(H,12,13,14).
What are the key properties of 5-chloro-4-pyridin-2-ylsulfanyl-1H-pyrimidin-6-one?
5-chloro-4-pyridin-2-ylsulfanyl-1H-pyrimidin-6-one has a molecular weight of 239.69 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-pyridin-2-ylsulfanyl-1H-pyrimidin-6-one is sourced from PubChem (CID 114791008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).