2-(6-chloro-2,5-dimethylpyrimidin-4-yl)sulfanyl-1H-pyrimidin-6-one

C10H9ClN4OS — CID 55229323

IUPAC2-(6-chloro-2,5-dimethylpyrimidin-4-yl)sulfanyl-1H-pyrimidin-6-one
SMILESCc1nc(Cl)c(C)c(Sc2nccc(=O)[nH]2)n1
InChIInChI=1S/C10H9ClN4OS/c1-5-8(11)13-6(2)14-9(5)17-10-12-4-3-7(16)15-10/h3-4H,1-2H3,(H,12,15,16)
InChIKeyYOASTPDGMNHILC-UHFFFAOYSA-N
MW268.73 g/mol
LogP1.98
Rot. Bonds2

About 2-(6-chloro-2,5-dimethylpyrimidin-4-yl)sulfanyl-1H-pyrimidin-6-one

2-(6-chloro-2,5-dimethylpyrimidin-4-yl)sulfanyl-1H-pyrimidin-6-one (PubChem CID 55229323) has the molecular formula C10H9ClN4OS and a molecular weight of 268.73 g/mol. Its IUPAC name is 2-(6-chloro-2,5-dimethylpyrimidin-4-yl)sulfanyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(6-chloro-2,5-dimethylpyrimidin-4-yl)sulfanyl-1H-pyrimidin-6-one
PubChem CID55229323
Molecular FormulaC10H9ClN4OS
Molecular Weight268.73 g/mol
Exact Mass268.02
IUPAC Name2-(6-chloro-2,5-dimethylpyrimidin-4-yl)sulfanyl-1H-pyrimidin-6-one
SMILESCc1nc(Cl)c(C)c(Sc2nccc(=O)[nH]2)n1
InChIInChI=1S/C10H9ClN4OS/c1-5-8(11)13-6(2)14-9(5)17-10-12-4-3-7(16)15-10/h3-4H,1-2H3,(H,12,15,16)
InChIKeyYOASTPDGMNHILC-UHFFFAOYSA-N
XLogP1.98
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.73
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-2,5-dimethylpyrimidin-4-yl)sulfanyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(6-chloro-2,5-dimethylpyrimidin-4-yl)sulfanyl-1H-pyrimidin-6-one (CID 55229323) is 2-(6-chloro-2,5-dimethylpyrimidin-4-yl)sulfanyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(6-chloro-2,5-dimethylpyrimidin-4-yl)sulfanyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(6-chloro-2,5-dimethylpyrimidin-4-yl)sulfanyl-1H-pyrimidin-6-one is Cc1nc(Cl)c(C)c(Sc2nccc(=O)[nH]2)n1.
What is the InChIKey of 2-(6-chloro-2,5-dimethylpyrimidin-4-yl)sulfanyl-1H-pyrimidin-6-one?
The InChIKey is YOASTPDGMNHILC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN4OS/c1-5-8(11)13-6(2)14-9(5)17-10-12-4-3-7(16)15-10/h3-4H,1-2H3,(H,12,15,16).
What are the key properties of 2-(6-chloro-2,5-dimethylpyrimidin-4-yl)sulfanyl-1H-pyrimidin-6-one?
2-(6-chloro-2,5-dimethylpyrimidin-4-yl)sulfanyl-1H-pyrimidin-6-one has a molecular weight of 268.73 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-2,5-dimethylpyrimidin-4-yl)sulfanyl-1H-pyrimidin-6-one is sourced from PubChem (CID 55229323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).