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

C15H14N2O2S — CID 47019420

IUPAC2-[(4-hydroxyphenyl)methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one
SMILESCc1sc2nc(Cc3ccc(O)cc3)[nH]c(=O)c2c1C
InChIInChI=1S/C15H14N2O2S/c1-8-9(2)20-15-13(8)14(19)16-12(17-15)7-10-3-5-11(18)6-4-10/h3-6,18H,7H2,1-2H3,(H,16,17,19)
InChIKeyPRWCNENANGFTCD-UHFFFAOYSA-N
MW286.36 g/mol
LogP2.90
Rot. Bonds2

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

2-[(4-hydroxyphenyl)methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one (PubChem CID 47019420) has the molecular formula C15H14N2O2S and a molecular weight of 286.36 g/mol. Its IUPAC name is 2-[(4-hydroxyphenyl)methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-[(4-hydroxyphenyl)methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one
PubChem CID47019420
Molecular FormulaC15H14N2O2S
Molecular Weight286.36 g/mol
Exact Mass286.08
IUPAC Name2-[(4-hydroxyphenyl)methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one
SMILESCc1sc2nc(Cc3ccc(O)cc3)[nH]c(=O)c2c1C
InChIInChI=1S/C15H14N2O2S/c1-8-9(2)20-15-13(8)14(19)16-12(17-15)7-10-3-5-11(18)6-4-10/h3-6,18H,7H2,1-2H3,(H,16,17,19)
InChIKeyPRWCNENANGFTCD-UHFFFAOYSA-N
XLogP2.90
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-hydroxyphenyl)methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 2-[(4-hydroxyphenyl)methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one (CID 47019420) is 2-[(4-hydroxyphenyl)methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-[(4-hydroxyphenyl)methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 2-[(4-hydroxyphenyl)methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one is Cc1sc2nc(Cc3ccc(O)cc3)[nH]c(=O)c2c1C.
What is the InChIKey of 2-[(4-hydroxyphenyl)methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one?
The InChIKey is PRWCNENANGFTCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2S/c1-8-9(2)20-15-13(8)14(19)16-12(17-15)7-10-3-5-11(18)6-4-10/h3-6,18H,7H2,1-2H3,(H,16,17,19).
What are the key properties of 2-[(4-hydroxyphenyl)methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one?
2-[(4-hydroxyphenyl)methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one has a molecular weight of 286.36 g/mol, XLogP of 2.90, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-hydroxyphenyl)methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 47019420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).