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

C15H16N2O3S — CID 23767752

IUPAC2-(3-hydroxy-4-methoxyphenyl)-5,6-dimethyl-2,3-dihydro-1H-thieno[2,3-d]pyrimidin-4-one
SMILESCOc1ccc(C2NC(=O)c3c(sc(C)c3C)N2)cc1O
InChIInChI=1S/C15H16N2O3S/c1-7-8(2)21-15-12(7)14(19)16-13(17-15)9-4-5-11(20-3)10(18)6-9/h4-6,13,17-18H,1-3H3,(H,16,19)
InChIKeyGJMLLPOBKHOTDP-UHFFFAOYSA-N
MW304.37 g/mol
LogP2.93
Rot. Bonds2

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

2-(3-hydroxy-4-methoxyphenyl)-5,6-dimethyl-2,3-dihydro-1H-thieno[2,3-d]pyrimidin-4-one (PubChem CID 23767752) has the molecular formula C15H16N2O3S and a molecular weight of 304.37 g/mol. Its IUPAC name is 2-(3-hydroxy-4-methoxyphenyl)-5,6-dimethyl-2,3-dihydro-1H-thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(3-hydroxy-4-methoxyphenyl)-5,6-dimethyl-2,3-dihydro-1H-thieno[2,3-d]pyrimidin-4-one
PubChem CID23767752
Molecular FormulaC15H16N2O3S
Molecular Weight304.37 g/mol
Exact Mass304.09
IUPAC Name2-(3-hydroxy-4-methoxyphenyl)-5,6-dimethyl-2,3-dihydro-1H-thieno[2,3-d]pyrimidin-4-one
SMILESCOc1ccc(C2NC(=O)c3c(sc(C)c3C)N2)cc1O
InChIInChI=1S/C15H16N2O3S/c1-7-8(2)21-15-12(7)14(19)16-13(17-15)9-4-5-11(20-3)10(18)6-9/h4-6,13,17-18H,1-3H3,(H,16,19)
InChIKeyGJMLLPOBKHOTDP-UHFFFAOYSA-N
XLogP2.93
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 52.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxy-4-methoxyphenyl)-5,6-dimethyl-2,3-dihydro-1H-thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 2-(3-hydroxy-4-methoxyphenyl)-5,6-dimethyl-2,3-dihydro-1H-thieno[2,3-d]pyrimidin-4-one (CID 23767752) is 2-(3-hydroxy-4-methoxyphenyl)-5,6-dimethyl-2,3-dihydro-1H-thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-(3-hydroxy-4-methoxyphenyl)-5,6-dimethyl-2,3-dihydro-1H-thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 2-(3-hydroxy-4-methoxyphenyl)-5,6-dimethyl-2,3-dihydro-1H-thieno[2,3-d]pyrimidin-4-one is COc1ccc(C2NC(=O)c3c(sc(C)c3C)N2)cc1O.
What is the InChIKey of 2-(3-hydroxy-4-methoxyphenyl)-5,6-dimethyl-2,3-dihydro-1H-thieno[2,3-d]pyrimidin-4-one?
The InChIKey is GJMLLPOBKHOTDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3S/c1-7-8(2)21-15-12(7)14(19)16-13(17-15)9-4-5-11(20-3)10(18)6-9/h4-6,13,17-18H,1-3H3,(H,16,19).
What are the key properties of 2-(3-hydroxy-4-methoxyphenyl)-5,6-dimethyl-2,3-dihydro-1H-thieno[2,3-d]pyrimidin-4-one?
2-(3-hydroxy-4-methoxyphenyl)-5,6-dimethyl-2,3-dihydro-1H-thieno[2,3-d]pyrimidin-4-one has a molecular weight of 304.37 g/mol, XLogP of 2.93, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxy-4-methoxyphenyl)-5,6-dimethyl-2,3-dihydro-1H-thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 23767752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).