2-[(E)-2-phenylethenyl]sulfanyl-1H-pyrimidin-6-one

C12H10N2OS — CID 746485

IUPAC2-[(E)-2-phenylethenyl]sulfanyl-1H-pyrimidin-6-one
SMILESO=c1ccnc(S/C=C/c2ccccc2)[nH]1
InChIInChI=1S/C12H10N2OS/c15-11-6-8-13-12(14-11)16-9-7-10-4-2-1-3-5-10/h1-9H,(H,13,14,15)/b9-7+
InChIKeyFILTZVXGKWJNGT-VQHVLOKHSA-N
MW230.29 g/mol
LogP2.53
Rot. Bonds3

About 2-[(E)-2-phenylethenyl]sulfanyl-1H-pyrimidin-6-one

2-[(E)-2-phenylethenyl]sulfanyl-1H-pyrimidin-6-one (PubChem CID 746485) has the molecular formula C12H10N2OS and a molecular weight of 230.29 g/mol. Its IUPAC name is 2-[(E)-2-phenylethenyl]sulfanyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[(E)-2-phenylethenyl]sulfanyl-1H-pyrimidin-6-one
PubChem CID746485
Molecular FormulaC12H10N2OS
Molecular Weight230.29 g/mol
Exact Mass230.05
IUPAC Name2-[(E)-2-phenylethenyl]sulfanyl-1H-pyrimidin-6-one
SMILESO=c1ccnc(S/C=C/c2ccccc2)[nH]1
InChIInChI=1S/C12H10N2OS/c15-11-6-8-13-12(14-11)16-9-7-10-4-2-1-3-5-10/h1-9H,(H,13,14,15)/b9-7+
InChIKeyFILTZVXGKWJNGT-VQHVLOKHSA-N
XLogP2.53
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.29
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-phenylethenyl]sulfanyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[(E)-2-phenylethenyl]sulfanyl-1H-pyrimidin-6-one (CID 746485) is 2-[(E)-2-phenylethenyl]sulfanyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[(E)-2-phenylethenyl]sulfanyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[(E)-2-phenylethenyl]sulfanyl-1H-pyrimidin-6-one is O=c1ccnc(S/C=C/c2ccccc2)[nH]1.
What is the InChIKey of 2-[(E)-2-phenylethenyl]sulfanyl-1H-pyrimidin-6-one?
The InChIKey is FILTZVXGKWJNGT-VQHVLOKHSA-N. The full InChI is InChI=1S/C12H10N2OS/c15-11-6-8-13-12(14-11)16-9-7-10-4-2-1-3-5-10/h1-9H,(H,13,14,15)/b9-7+.
What are the key properties of 2-[(E)-2-phenylethenyl]sulfanyl-1H-pyrimidin-6-one?
2-[(E)-2-phenylethenyl]sulfanyl-1H-pyrimidin-6-one has a molecular weight of 230.29 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-phenylethenyl]sulfanyl-1H-pyrimidin-6-one is sourced from PubChem (CID 746485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).