2-(2-hydroxyethylsulfanyl)-5,6-dimethyl-3-phenylthieno[2,3-d]pyrimidin-4-one

C16H16N2O2S2 — CID 5295978

IUPAC2-(2-hydroxyethylsulfanyl)-5,6-dimethyl-3-phenylthieno[2,3-d]pyrimidin-4-one
SMILESCc1sc2nc(SCCO)n(-c3ccccc3)c(=O)c2c1C
InChIInChI=1S/C16H16N2O2S2/c1-10-11(2)22-14-13(10)15(20)18(12-6-4-3-5-7-12)16(17-14)21-9-8-19/h3-7,19H,8-9H2,1-2H3
InChIKeyHPXIZAWXUBSQAU-UHFFFAOYSA-N
MW332.45 g/mol
LogP3.15
Rot. Bonds4

About 2-(2-hydroxyethylsulfanyl)-5,6-dimethyl-3-phenylthieno[2,3-d]pyrimidin-4-one

2-(2-hydroxyethylsulfanyl)-5,6-dimethyl-3-phenylthieno[2,3-d]pyrimidin-4-one (PubChem CID 5295978) has the molecular formula C16H16N2O2S2 and a molecular weight of 332.45 g/mol. Its IUPAC name is 2-(2-hydroxyethylsulfanyl)-5,6-dimethyl-3-phenylthieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(2-hydroxyethylsulfanyl)-5,6-dimethyl-3-phenylthieno[2,3-d]pyrimidin-4-one
PubChem CID5295978
Molecular FormulaC16H16N2O2S2
Molecular Weight332.45 g/mol
Exact Mass332.07
IUPAC Name2-(2-hydroxyethylsulfanyl)-5,6-dimethyl-3-phenylthieno[2,3-d]pyrimidin-4-one
SMILESCc1sc2nc(SCCO)n(-c3ccccc3)c(=O)c2c1C
InChIInChI=1S/C16H16N2O2S2/c1-10-11(2)22-14-13(10)15(20)18(12-6-4-3-5-7-12)16(17-14)21-9-8-19/h3-7,19H,8-9H2,1-2H3
InChIKeyHPXIZAWXUBSQAU-UHFFFAOYSA-N
XLogP3.15
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethylsulfanyl)-5,6-dimethyl-3-phenylthieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 2-(2-hydroxyethylsulfanyl)-5,6-dimethyl-3-phenylthieno[2,3-d]pyrimidin-4-one (CID 5295978) is 2-(2-hydroxyethylsulfanyl)-5,6-dimethyl-3-phenylthieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-(2-hydroxyethylsulfanyl)-5,6-dimethyl-3-phenylthieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 2-(2-hydroxyethylsulfanyl)-5,6-dimethyl-3-phenylthieno[2,3-d]pyrimidin-4-one is Cc1sc2nc(SCCO)n(-c3ccccc3)c(=O)c2c1C.
What is the InChIKey of 2-(2-hydroxyethylsulfanyl)-5,6-dimethyl-3-phenylthieno[2,3-d]pyrimidin-4-one?
The InChIKey is HPXIZAWXUBSQAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2S2/c1-10-11(2)22-14-13(10)15(20)18(12-6-4-3-5-7-12)16(17-14)21-9-8-19/h3-7,19H,8-9H2,1-2H3.
What are the key properties of 2-(2-hydroxyethylsulfanyl)-5,6-dimethyl-3-phenylthieno[2,3-d]pyrimidin-4-one?
2-(2-hydroxyethylsulfanyl)-5,6-dimethyl-3-phenylthieno[2,3-d]pyrimidin-4-one has a molecular weight of 332.45 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethylsulfanyl)-5,6-dimethyl-3-phenylthieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 5295978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).