2-hydroxy-3,6-dimethyl-1,2-dihydrothieno[3,2-d]pyrimidin-4-one

C8H10N2O2S — CID 174332092

IUPAC2-hydroxy-3,6-dimethyl-1,2-dihydrothieno[3,2-d]pyrimidin-4-one
SMILESCc1cc2c(s1)C(=O)N(C)C(O)N2
InChIInChI=1S/C8H10N2O2S/c1-4-3-5-6(13-4)7(11)10(2)8(12)9-5/h3,8-9,12H,1-2H3
InChIKeyXPNSYDJROYPRNG-UHFFFAOYSA-N
MW198.25 g/mol
LogP0.83
Rot. Bonds

About 2-hydroxy-3,6-dimethyl-1,2-dihydrothieno[3,2-d]pyrimidin-4-one

2-hydroxy-3,6-dimethyl-1,2-dihydrothieno[3,2-d]pyrimidin-4-one (PubChem CID 174332092) has the molecular formula C8H10N2O2S and a molecular weight of 198.25 g/mol. Its IUPAC name is 2-hydroxy-3,6-dimethyl-1,2-dihydrothieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-hydroxy-3,6-dimethyl-1,2-dihydrothieno[3,2-d]pyrimidin-4-one
PubChem CID174332092
Molecular FormulaC8H10N2O2S
Molecular Weight198.25 g/mol
Exact Mass198.05
IUPAC Name2-hydroxy-3,6-dimethyl-1,2-dihydrothieno[3,2-d]pyrimidin-4-one
SMILESCc1cc2c(s1)C(=O)N(C)C(O)N2
InChIInChI=1S/C8H10N2O2S/c1-4-3-5-6(13-4)7(11)10(2)8(12)9-5/h3,8-9,12H,1-2H3
InChIKeyXPNSYDJROYPRNG-UHFFFAOYSA-N
XLogP0.83
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.25
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3,6-dimethyl-1,2-dihydrothieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 2-hydroxy-3,6-dimethyl-1,2-dihydrothieno[3,2-d]pyrimidin-4-one (CID 174332092) is 2-hydroxy-3,6-dimethyl-1,2-dihydrothieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 2-hydroxy-3,6-dimethyl-1,2-dihydrothieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 2-hydroxy-3,6-dimethyl-1,2-dihydrothieno[3,2-d]pyrimidin-4-one is Cc1cc2c(s1)C(=O)N(C)C(O)N2.
What is the InChIKey of 2-hydroxy-3,6-dimethyl-1,2-dihydrothieno[3,2-d]pyrimidin-4-one?
The InChIKey is XPNSYDJROYPRNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2S/c1-4-3-5-6(13-4)7(11)10(2)8(12)9-5/h3,8-9,12H,1-2H3.
What are the key properties of 2-hydroxy-3,6-dimethyl-1,2-dihydrothieno[3,2-d]pyrimidin-4-one?
2-hydroxy-3,6-dimethyl-1,2-dihydrothieno[3,2-d]pyrimidin-4-one has a molecular weight of 198.25 g/mol, XLogP of 0.83, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3,6-dimethyl-1,2-dihydrothieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 174332092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).