3-(3-hydroxy-2,2-dimethylpropyl)-7-methylthieno[3,2-d]pyrimidin-4-one

C12H16N2O2S — CID 39796651

IUPAC3-(3-hydroxy-2,2-dimethylpropyl)-7-methylthieno[3,2-d]pyrimidin-4-one
SMILESCc1csc2c(=O)n(CC(C)(C)CO)cnc12
InChIInChI=1S/C12H16N2O2S/c1-8-4-17-10-9(8)13-7-14(11(10)16)5-12(2,3)6-15/h4,7,15H,5-6H2,1-3H3
InChIKeyWQVUSRWMMXSNGI-UHFFFAOYSA-N
MW252.34 g/mol
LogP1.78
Rot. Bonds3

About 3-(3-hydroxy-2,2-dimethylpropyl)-7-methylthieno[3,2-d]pyrimidin-4-one

3-(3-hydroxy-2,2-dimethylpropyl)-7-methylthieno[3,2-d]pyrimidin-4-one (PubChem CID 39796651) has the molecular formula C12H16N2O2S and a molecular weight of 252.34 g/mol. Its IUPAC name is 3-(3-hydroxy-2,2-dimethylpropyl)-7-methylthieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-(3-hydroxy-2,2-dimethylpropyl)-7-methylthieno[3,2-d]pyrimidin-4-one
PubChem CID39796651
Molecular FormulaC12H16N2O2S
Molecular Weight252.34 g/mol
Exact Mass252.09
IUPAC Name3-(3-hydroxy-2,2-dimethylpropyl)-7-methylthieno[3,2-d]pyrimidin-4-one
SMILESCc1csc2c(=O)n(CC(C)(C)CO)cnc12
InChIInChI=1S/C12H16N2O2S/c1-8-4-17-10-9(8)13-7-14(11(10)16)5-12(2,3)6-15/h4,7,15H,5-6H2,1-3H3
InChIKeyWQVUSRWMMXSNGI-UHFFFAOYSA-N
XLogP1.78
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7-methyl-3-(2-methylpropyl)thieno[3,2-d]pyrimidin-4-one
CID 102685602
7-methyl-3-(3-methyl-2-oxobutyl)thieno[3,2-d]pyrimidin-4-one
CID 102685394
7-methyl-3-(3-methylbut-3-enyl)thieno[3,2-d]pyrimidin-4-one
CID 102685683
2-(7-methyl-4-oxothieno[3,2-d]pyrimidin-3-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 102685784
3-(4-chlorobutyl)-7-methylthieno[3,2-d]pyrimidin-4-one
CID 102685321
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-[(E)-3-chloroprop-2-enyl]-7-methylthieno[3,2-d]pyrimidin-4-one
CID 102685617
3-(3-bromo-2-methylpropyl)-7-methylthieno[3,2-d]pyrimidin-4-one
CID 102685349
7-methyl-3-[(4-methylpyrimidin-2-yl)methyl]thieno[3,2-d]pyrimidin-4-one
CID 146130098
3-[[3-(2-aminopropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-7-methylthieno[3,2-d]pyrimidin-4-one
CID 102685383
3-[2-(4-fluoroanilino)ethyl]-7-methylthieno[3,2-d]pyrimidin-4-one
CID 102685564

Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxy-2,2-dimethylpropyl)-7-methylthieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 3-(3-hydroxy-2,2-dimethylpropyl)-7-methylthieno[3,2-d]pyrimidin-4-one (CID 39796651) is 3-(3-hydroxy-2,2-dimethylpropyl)-7-methylthieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 3-(3-hydroxy-2,2-dimethylpropyl)-7-methylthieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 3-(3-hydroxy-2,2-dimethylpropyl)-7-methylthieno[3,2-d]pyrimidin-4-one is Cc1csc2c(=O)n(CC(C)(C)CO)cnc12.
What is the InChIKey of 3-(3-hydroxy-2,2-dimethylpropyl)-7-methylthieno[3,2-d]pyrimidin-4-one?
The InChIKey is WQVUSRWMMXSNGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2S/c1-8-4-17-10-9(8)13-7-14(11(10)16)5-12(2,3)6-15/h4,7,15H,5-6H2,1-3H3.
What are the key properties of 3-(3-hydroxy-2,2-dimethylpropyl)-7-methylthieno[3,2-d]pyrimidin-4-one?
3-(3-hydroxy-2,2-dimethylpropyl)-7-methylthieno[3,2-d]pyrimidin-4-one has a molecular weight of 252.34 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxy-2,2-dimethylpropyl)-7-methylthieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 39796651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).