3-(2-hydroxy-2-methylpropyl)thieno[2,3-d]pyrimidin-4-one

C10H12N2O2S — CID 110896890

IUPAC3-(2-hydroxy-2-methylpropyl)thieno[2,3-d]pyrimidin-4-one
SMILESCC(C)(O)Cn1cnc2sccc2c1=O
InChIInChI=1S/C10H12N2O2S/c1-10(2,14)5-12-6-11-8-7(9(12)13)3-4-15-8/h3-4,6,14H,5H2,1-2H3
InChIKeySGNRCMNKBXVHBL-UHFFFAOYSA-N
MW224.29 g/mol
LogP1.23
Rot. Bonds2

About 3-(2-hydroxy-2-methylpropyl)thieno[2,3-d]pyrimidin-4-one

3-(2-hydroxy-2-methylpropyl)thieno[2,3-d]pyrimidin-4-one (PubChem CID 110896890) has the molecular formula C10H12N2O2S and a molecular weight of 224.29 g/mol. Its IUPAC name is 3-(2-hydroxy-2-methylpropyl)thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-(2-hydroxy-2-methylpropyl)thieno[2,3-d]pyrimidin-4-one
PubChem CID110896890
Molecular FormulaC10H12N2O2S
Molecular Weight224.29 g/mol
Exact Mass224.06
IUPAC Name3-(2-hydroxy-2-methylpropyl)thieno[2,3-d]pyrimidin-4-one
SMILESCC(C)(O)Cn1cnc2sccc2c1=O
InChIInChI=1S/C10H12N2O2S/c1-10(2,14)5-12-6-11-8-7(9(12)13)3-4-15-8/h3-4,6,14H,5H2,1-2H3
InChIKeySGNRCMNKBXVHBL-UHFFFAOYSA-N
XLogP1.23
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.29
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxy-2-methylpropyl)thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 3-(2-hydroxy-2-methylpropyl)thieno[2,3-d]pyrimidin-4-one (CID 110896890) is 3-(2-hydroxy-2-methylpropyl)thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 3-(2-hydroxy-2-methylpropyl)thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 3-(2-hydroxy-2-methylpropyl)thieno[2,3-d]pyrimidin-4-one is CC(C)(O)Cn1cnc2sccc2c1=O.
What is the InChIKey of 3-(2-hydroxy-2-methylpropyl)thieno[2,3-d]pyrimidin-4-one?
The InChIKey is SGNRCMNKBXVHBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2S/c1-10(2,14)5-12-6-11-8-7(9(12)13)3-4-15-8/h3-4,6,14H,5H2,1-2H3.
What are the key properties of 3-(2-hydroxy-2-methylpropyl)thieno[2,3-d]pyrimidin-4-one?
3-(2-hydroxy-2-methylpropyl)thieno[2,3-d]pyrimidin-4-one has a molecular weight of 224.29 g/mol, XLogP of 1.23, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxy-2-methylpropyl)thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 110896890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).