2-(3-hydroxyphenyl)-5,6-dimethyl-2,3-dihydro-1H-thieno[2,3-d]pyrimidin-4-one

C14H14N2O2S — CID 3238059

IUPAC2-(3-hydroxyphenyl)-5,6-dimethyl-2,3-dihydro-1H-thieno[2,3-d]pyrimidin-4-one
SMILESCc1sc2c(c1C)C(=O)NC(c1cccc(O)c1)N2
InChIInChI=1S/C14H14N2O2S/c1-7-8(2)19-14-11(7)13(18)15-12(16-14)9-4-3-5-10(17)6-9/h3-6,12,16-17H,1-2H3,(H,15,18)
InChIKeyJDJIOGOQOSIXLO-UHFFFAOYSA-N
MW274.34 g/mol
LogP2.92
Rot. Bonds1

About 2-(3-hydroxyphenyl)-5,6-dimethyl-2,3-dihydro-1H-thieno[2,3-d]pyrimidin-4-one

2-(3-hydroxyphenyl)-5,6-dimethyl-2,3-dihydro-1H-thieno[2,3-d]pyrimidin-4-one (PubChem CID 3238059) has the molecular formula C14H14N2O2S and a molecular weight of 274.34 g/mol. Its IUPAC name is 2-(3-hydroxyphenyl)-5,6-dimethyl-2,3-dihydro-1H-thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(3-hydroxyphenyl)-5,6-dimethyl-2,3-dihydro-1H-thieno[2,3-d]pyrimidin-4-one
PubChem CID3238059
Molecular FormulaC14H14N2O2S
Molecular Weight274.34 g/mol
Exact Mass274.08
IUPAC Name2-(3-hydroxyphenyl)-5,6-dimethyl-2,3-dihydro-1H-thieno[2,3-d]pyrimidin-4-one
SMILESCc1sc2c(c1C)C(=O)NC(c1cccc(O)c1)N2
InChIInChI=1S/C14H14N2O2S/c1-7-8(2)19-14-11(7)13(18)15-12(16-14)9-4-3-5-10(17)6-9/h3-6,12,16-17H,1-2H3,(H,15,18)
InChIKeyJDJIOGOQOSIXLO-UHFFFAOYSA-N
XLogP2.92
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 52.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxyphenyl)-5,6-dimethyl-2,3-dihydro-1H-thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 2-(3-hydroxyphenyl)-5,6-dimethyl-2,3-dihydro-1H-thieno[2,3-d]pyrimidin-4-one (CID 3238059) is 2-(3-hydroxyphenyl)-5,6-dimethyl-2,3-dihydro-1H-thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-(3-hydroxyphenyl)-5,6-dimethyl-2,3-dihydro-1H-thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 2-(3-hydroxyphenyl)-5,6-dimethyl-2,3-dihydro-1H-thieno[2,3-d]pyrimidin-4-one is Cc1sc2c(c1C)C(=O)NC(c1cccc(O)c1)N2.
What is the InChIKey of 2-(3-hydroxyphenyl)-5,6-dimethyl-2,3-dihydro-1H-thieno[2,3-d]pyrimidin-4-one?
The InChIKey is JDJIOGOQOSIXLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2S/c1-7-8(2)19-14-11(7)13(18)15-12(16-14)9-4-3-5-10(17)6-9/h3-6,12,16-17H,1-2H3,(H,15,18).
What are the key properties of 2-(3-hydroxyphenyl)-5,6-dimethyl-2,3-dihydro-1H-thieno[2,3-d]pyrimidin-4-one?
2-(3-hydroxyphenyl)-5,6-dimethyl-2,3-dihydro-1H-thieno[2,3-d]pyrimidin-4-one has a molecular weight of 274.34 g/mol, XLogP of 2.92, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxyphenyl)-5,6-dimethyl-2,3-dihydro-1H-thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 3238059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).