2-methyl-7-propan-2-yl-3H-thieno[3,4-d]pyrimidin-4-one

C10H12N2OS — CID 158455247

IUPAC2-methyl-7-propan-2-yl-3H-thieno[3,4-d]pyrimidin-4-one
SMILESCc1nc2c(C(C)C)scc2c(=O)[nH]1
InChIInChI=1S/C10H12N2OS/c1-5(2)9-8-7(4-14-9)10(13)12-6(3)11-8/h4-5H,1-3H3,(H,11,12,13)
InChIKeyNXLVJWPBWNSIGF-UHFFFAOYSA-N
MW208.29 g/mol
LogP2.42
Rot. Bonds1

About 2-methyl-7-propan-2-yl-3H-thieno[3,4-d]pyrimidin-4-one

2-methyl-7-propan-2-yl-3H-thieno[3,4-d]pyrimidin-4-one (PubChem CID 158455247) has the molecular formula C10H12N2OS and a molecular weight of 208.29 g/mol. Its IUPAC name is 2-methyl-7-propan-2-yl-3H-thieno[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-methyl-7-propan-2-yl-3H-thieno[3,4-d]pyrimidin-4-one
PubChem CID158455247
Molecular FormulaC10H12N2OS
Molecular Weight208.29 g/mol
Exact Mass208.07
IUPAC Name2-methyl-7-propan-2-yl-3H-thieno[3,4-d]pyrimidin-4-one
SMILESCc1nc2c(C(C)C)scc2c(=O)[nH]1
InChIInChI=1S/C10H12N2OS/c1-5(2)9-8-7(4-14-9)10(13)12-6(3)11-8/h4-5H,1-3H3,(H,11,12,13)
InChIKeyNXLVJWPBWNSIGF-UHFFFAOYSA-N
XLogP2.42
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.29
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-methyl-7-propan-2-yl-3H-thieno[3,4-d]pyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-7-propan-2-yl-3H-thieno[3,4-d]pyrimidin-4-one?
The IUPAC name of 2-methyl-7-propan-2-yl-3H-thieno[3,4-d]pyrimidin-4-one (CID 158455247) is 2-methyl-7-propan-2-yl-3H-thieno[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 2-methyl-7-propan-2-yl-3H-thieno[3,4-d]pyrimidin-4-one?
The canonical SMILES for 2-methyl-7-propan-2-yl-3H-thieno[3,4-d]pyrimidin-4-one is Cc1nc2c(C(C)C)scc2c(=O)[nH]1.
What is the InChIKey of 2-methyl-7-propan-2-yl-3H-thieno[3,4-d]pyrimidin-4-one?
The InChIKey is NXLVJWPBWNSIGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2OS/c1-5(2)9-8-7(4-14-9)10(13)12-6(3)11-8/h4-5H,1-3H3,(H,11,12,13).
What are the key properties of 2-methyl-7-propan-2-yl-3H-thieno[3,4-d]pyrimidin-4-one?
2-methyl-7-propan-2-yl-3H-thieno[3,4-d]pyrimidin-4-one has a molecular weight of 208.29 g/mol, XLogP of 2.42, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-7-propan-2-yl-3H-thieno[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 158455247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).