3-[(1R)-1-methylsulfanylethyl]pyrimidin-4-one

C7H10N2OS — CID 134448162

IUPAC3-[(1R)-1-methylsulfanylethyl]pyrimidin-4-one
SMILESCS[C@H](C)n1cnccc1=O
InChIInChI=1S/C7H10N2OS/c1-6(11-2)9-5-8-4-3-7(9)10/h3-6H,1-2H3/t6-/m1/s1
InChIKeyBKZANMIQUMOBDH-ZCFIWIBFSA-N
MW170.24 g/mol
LogP1.12
Rot. Bonds2

About 3-[(1R)-1-methylsulfanylethyl]pyrimidin-4-one

3-[(1R)-1-methylsulfanylethyl]pyrimidin-4-one (PubChem CID 134448162) has the molecular formula C7H10N2OS and a molecular weight of 170.24 g/mol. Its IUPAC name is 3-[(1R)-1-methylsulfanylethyl]pyrimidin-4-one.

Molecular Properties

Compound Name3-[(1R)-1-methylsulfanylethyl]pyrimidin-4-one
PubChem CID134448162
Molecular FormulaC7H10N2OS
Molecular Weight170.24 g/mol
Exact Mass170.05
IUPAC Name3-[(1R)-1-methylsulfanylethyl]pyrimidin-4-one
SMILESCS[C@H](C)n1cnccc1=O
InChIInChI=1S/C7H10N2OS/c1-6(11-2)9-5-8-4-3-7(9)10/h3-6H,1-2H3/t6-/m1/s1
InChIKeyBKZANMIQUMOBDH-ZCFIWIBFSA-N
XLogP1.12
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.24
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(1R)-1-methylsulfanylethyl]pyrimidin-4-one?
The IUPAC name of 3-[(1R)-1-methylsulfanylethyl]pyrimidin-4-one (CID 134448162) is 3-[(1R)-1-methylsulfanylethyl]pyrimidin-4-one.
What is the SMILES notation for 3-[(1R)-1-methylsulfanylethyl]pyrimidin-4-one?
The canonical SMILES for 3-[(1R)-1-methylsulfanylethyl]pyrimidin-4-one is CS[C@H](C)n1cnccc1=O.
What is the InChIKey of 3-[(1R)-1-methylsulfanylethyl]pyrimidin-4-one?
The InChIKey is BKZANMIQUMOBDH-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H10N2OS/c1-6(11-2)9-5-8-4-3-7(9)10/h3-6H,1-2H3/t6-/m1/s1.
What are the key properties of 3-[(1R)-1-methylsulfanylethyl]pyrimidin-4-one?
3-[(1R)-1-methylsulfanylethyl]pyrimidin-4-one has a molecular weight of 170.24 g/mol, XLogP of 1.12, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R)-1-methylsulfanylethyl]pyrimidin-4-one is sourced from PubChem (CID 134448162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).