2-(phenylsulfanylmethyl)-1H-pyrimidin-6-one

C11H10N2OS — CID 65141809

IUPAC2-(phenylsulfanylmethyl)-1H-pyrimidin-6-one
SMILESO=c1ccnc(CSc2ccccc2)[nH]1
InChIInChI=1S/C11H10N2OS/c14-11-6-7-12-10(13-11)8-15-9-4-2-1-3-5-9/h1-7H,8H2,(H,12,13,14)
InChIKeySVOOLTTVWLNMNF-UHFFFAOYSA-N
MW218.28 g/mol
LogP2.06
Rot. Bonds3

About 2-(phenylsulfanylmethyl)-1H-pyrimidin-6-one

2-(phenylsulfanylmethyl)-1H-pyrimidin-6-one (PubChem CID 65141809) has the molecular formula C11H10N2OS and a molecular weight of 218.28 g/mol. Its IUPAC name is 2-(phenylsulfanylmethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(phenylsulfanylmethyl)-1H-pyrimidin-6-one
PubChem CID65141809
Molecular FormulaC11H10N2OS
Molecular Weight218.28 g/mol
Exact Mass218.05
IUPAC Name2-(phenylsulfanylmethyl)-1H-pyrimidin-6-one
SMILESO=c1ccnc(CSc2ccccc2)[nH]1
InChIInChI=1S/C11H10N2OS/c14-11-6-7-12-10(13-11)8-15-9-4-2-1-3-5-9/h1-7H,8H2,(H,12,13,14)
InChIKeySVOOLTTVWLNMNF-UHFFFAOYSA-N
XLogP2.06
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.28
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(phenylsulfanylmethyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-(phenylsulfanylmethyl)-1H-pyrimidin-6-one (CID 65141809) is 2-(phenylsulfanylmethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(phenylsulfanylmethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-(phenylsulfanylmethyl)-1H-pyrimidin-6-one is O=c1ccnc(CSc2ccccc2)[nH]1.
What is the InChIKey of 2-(phenylsulfanylmethyl)-1H-pyrimidin-6-one?
The InChIKey is SVOOLTTVWLNMNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2OS/c14-11-6-7-12-10(13-11)8-15-9-4-2-1-3-5-9/h1-7H,8H2,(H,12,13,14).
What are the key properties of 2-(phenylsulfanylmethyl)-1H-pyrimidin-6-one?
2-(phenylsulfanylmethyl)-1H-pyrimidin-6-one has a molecular weight of 218.28 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(phenylsulfanylmethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 65141809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).