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

C11H14N2OS — CID 102685602

IUPAC7-methyl-3-(2-methylpropyl)thieno[3,2-d]pyrimidin-4-one
SMILESCc1csc2c(=O)n(CC(C)C)cnc12
InChIInChI=1S/C11H14N2OS/c1-7(2)4-13-6-12-9-8(3)5-15-10(9)11(13)14/h5-7H,4H2,1-3H3
InChIKeyVTYSUEIFUJWFOY-UHFFFAOYSA-N
MW222.31 g/mol
LogP2.42
Rot. Bonds2

About 7-methyl-3-(2-methylpropyl)thieno[3,2-d]pyrimidin-4-one

7-methyl-3-(2-methylpropyl)thieno[3,2-d]pyrimidin-4-one (PubChem CID 102685602) has the molecular formula C11H14N2OS and a molecular weight of 222.31 g/mol. Its IUPAC name is 7-methyl-3-(2-methylpropyl)thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-methyl-3-(2-methylpropyl)thieno[3,2-d]pyrimidin-4-one
PubChem CID102685602
Molecular FormulaC11H14N2OS
Molecular Weight222.31 g/mol
Exact Mass222.08
IUPAC Name7-methyl-3-(2-methylpropyl)thieno[3,2-d]pyrimidin-4-one
SMILESCc1csc2c(=O)n(CC(C)C)cnc12
InChIInChI=1S/C11H14N2OS/c1-7(2)4-13-6-12-9-8(3)5-15-10(9)11(13)14/h5-7H,4H2,1-3H3
InChIKeyVTYSUEIFUJWFOY-UHFFFAOYSA-N
XLogP2.42
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-bromo-2-methylpropyl)-7-methylthieno[3,2-d]pyrimidin-4-one
CID 102685349
7-methyl-3-(3-methyl-2-oxobutyl)thieno[3,2-d]pyrimidin-4-one
CID 102685394
3-[(E)-3-chloroprop-2-enyl]-7-methylthieno[3,2-d]pyrimidin-4-one
CID 102685617
7-methyl-3-(3-methylbut-3-enyl)thieno[3,2-d]pyrimidin-4-one
CID 102685683
7-methyl-3-(2-phenyl-3-sulfanylpropyl)thieno[3,2-d]pyrimidin-4-one
CID 102685900
3-(4-chlorobutyl)-7-methylthieno[3,2-d]pyrimidin-4-one
CID 102685321
7-(4-fluorophenyl)-3-(2-methylpropyl)thieno[3,2-d]pyrimidin-4-one
CID 53035266
3-[(3,5-dimethylphenyl)methyl]-7-methylthieno[3,2-d]pyrimidin-4-one
CID 102685812
3-heptyl-7-methylthieno[3,2-d]pyrimidin-4-one
CID 102685714
3-[(5-chlorothiophen-2-yl)methyl]-7-methylthieno[3,2-d]pyrimidin-4-one
CID 39804649
3-(3-hydroxy-2,2-dimethylpropyl)-7-methylthieno[3,2-d]pyrimidin-4-one
CID 39796651
7,8-dimethyl-3-(2-methylpropyl)-[1]benzothiolo[3,2-d]pyrimidin-4-one
CID 166429148

Frequently Asked Questions

What is the IUPAC name of 7-methyl-3-(2-methylpropyl)thieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 7-methyl-3-(2-methylpropyl)thieno[3,2-d]pyrimidin-4-one (CID 102685602) is 7-methyl-3-(2-methylpropyl)thieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 7-methyl-3-(2-methylpropyl)thieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 7-methyl-3-(2-methylpropyl)thieno[3,2-d]pyrimidin-4-one is Cc1csc2c(=O)n(CC(C)C)cnc12.
What is the InChIKey of 7-methyl-3-(2-methylpropyl)thieno[3,2-d]pyrimidin-4-one?
The InChIKey is VTYSUEIFUJWFOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2OS/c1-7(2)4-13-6-12-9-8(3)5-15-10(9)11(13)14/h5-7H,4H2,1-3H3.
What are the key properties of 7-methyl-3-(2-methylpropyl)thieno[3,2-d]pyrimidin-4-one?
7-methyl-3-(2-methylpropyl)thieno[3,2-d]pyrimidin-4-one has a molecular weight of 222.31 g/mol, XLogP of 2.42, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-3-(2-methylpropyl)thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 102685602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).