2-(1-hydroxyethyl)-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one

C9H10N2O2S — CID 166120129

IUPAC2-(1-hydroxyethyl)-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one
SMILESCc1cc2c(=O)[nH]c(C(C)O)nc2s1
InChIInChI=1S/C9H10N2O2S/c1-4-3-6-8(13)10-7(5(2)12)11-9(6)14-4/h3,5,12H,1-2H3,(H,10,11,13)
InChIKeyRTWMRROIGOGYJW-UHFFFAOYSA-N
MW210.26 g/mol
LogP1.35
Rot. Bonds1

About 2-(1-hydroxyethyl)-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one

2-(1-hydroxyethyl)-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one (PubChem CID 166120129) has the molecular formula C9H10N2O2S and a molecular weight of 210.26 g/mol. Its IUPAC name is 2-(1-hydroxyethyl)-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(1-hydroxyethyl)-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one
PubChem CID166120129
Molecular FormulaC9H10N2O2S
Molecular Weight210.26 g/mol
Exact Mass210.05
IUPAC Name2-(1-hydroxyethyl)-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one
SMILESCc1cc2c(=O)[nH]c(C(C)O)nc2s1
InChIInChI=1S/C9H10N2O2S/c1-4-3-6-8(13)10-7(5(2)12)11-9(6)14-4/h3,5,12H,1-2H3,(H,10,11,13)
InChIKeyRTWMRROIGOGYJW-UHFFFAOYSA-N
XLogP1.35
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.26
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxyethyl)-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 2-(1-hydroxyethyl)-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one (CID 166120129) is 2-(1-hydroxyethyl)-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-(1-hydroxyethyl)-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 2-(1-hydroxyethyl)-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one is Cc1cc2c(=O)[nH]c(C(C)O)nc2s1.
What is the InChIKey of 2-(1-hydroxyethyl)-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one?
The InChIKey is RTWMRROIGOGYJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2S/c1-4-3-6-8(13)10-7(5(2)12)11-9(6)14-4/h3,5,12H,1-2H3,(H,10,11,13).
What are the key properties of 2-(1-hydroxyethyl)-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one?
2-(1-hydroxyethyl)-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one has a molecular weight of 210.26 g/mol, XLogP of 1.35, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxyethyl)-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 166120129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).