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

C15H16N2O2S — CID 4209003

IUPAC2-(2-hydroxy-3-methylphenyl)-5,6-dimethyl-2,3-dihydro-1H-thieno[2,3-d]pyrimidin-4-one
SMILESCc1cccc(C2NC(=O)c3c(sc(C)c3C)N2)c1O
InChIInChI=1S/C15H16N2O2S/c1-7-5-4-6-10(12(7)18)13-16-14(19)11-8(2)9(3)20-15(11)17-13/h4-6,13,17-18H,1-3H3,(H,16,19)
InChIKeyXSEDRCKPVNMFOM-UHFFFAOYSA-N
MW288.37 g/mol
LogP3.23
Rot. Bonds1

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

2-(2-hydroxy-3-methylphenyl)-5,6-dimethyl-2,3-dihydro-1H-thieno[2,3-d]pyrimidin-4-one (PubChem CID 4209003) has the molecular formula C15H16N2O2S and a molecular weight of 288.37 g/mol. Its IUPAC name is 2-(2-hydroxy-3-methylphenyl)-5,6-dimethyl-2,3-dihydro-1H-thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(2-hydroxy-3-methylphenyl)-5,6-dimethyl-2,3-dihydro-1H-thieno[2,3-d]pyrimidin-4-one
PubChem CID4209003
Molecular FormulaC15H16N2O2S
Molecular Weight288.37 g/mol
Exact Mass288.09
IUPAC Name2-(2-hydroxy-3-methylphenyl)-5,6-dimethyl-2,3-dihydro-1H-thieno[2,3-d]pyrimidin-4-one
SMILESCc1cccc(C2NC(=O)c3c(sc(C)c3C)N2)c1O
InChIInChI=1S/C15H16N2O2S/c1-7-5-4-6-10(12(7)18)13-16-14(19)11-8(2)9(3)20-15(11)17-13/h4-6,13,17-18H,1-3H3,(H,16,19)
InChIKeyXSEDRCKPVNMFOM-UHFFFAOYSA-N
XLogP3.23
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 53.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxy-3-methylphenyl)-5,6-dimethyl-2,3-dihydro-1H-thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 2-(2-hydroxy-3-methylphenyl)-5,6-dimethyl-2,3-dihydro-1H-thieno[2,3-d]pyrimidin-4-one (CID 4209003) is 2-(2-hydroxy-3-methylphenyl)-5,6-dimethyl-2,3-dihydro-1H-thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-(2-hydroxy-3-methylphenyl)-5,6-dimethyl-2,3-dihydro-1H-thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 2-(2-hydroxy-3-methylphenyl)-5,6-dimethyl-2,3-dihydro-1H-thieno[2,3-d]pyrimidin-4-one is Cc1cccc(C2NC(=O)c3c(sc(C)c3C)N2)c1O.
What is the InChIKey of 2-(2-hydroxy-3-methylphenyl)-5,6-dimethyl-2,3-dihydro-1H-thieno[2,3-d]pyrimidin-4-one?
The InChIKey is XSEDRCKPVNMFOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2S/c1-7-5-4-6-10(12(7)18)13-16-14(19)11-8(2)9(3)20-15(11)17-13/h4-6,13,17-18H,1-3H3,(H,16,19).
What are the key properties of 2-(2-hydroxy-3-methylphenyl)-5,6-dimethyl-2,3-dihydro-1H-thieno[2,3-d]pyrimidin-4-one?
2-(2-hydroxy-3-methylphenyl)-5,6-dimethyl-2,3-dihydro-1H-thieno[2,3-d]pyrimidin-4-one has a molecular weight of 288.37 g/mol, XLogP of 3.23, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxy-3-methylphenyl)-5,6-dimethyl-2,3-dihydro-1H-thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 4209003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).