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

C12H14N2O2S — CID 102685394

IUPAC7-methyl-3-(3-methyl-2-oxobutyl)thieno[3,2-d]pyrimidin-4-one
SMILESCc1csc2c(=O)n(CC(=O)C(C)C)cnc12
InChIInChI=1S/C12H14N2O2S/c1-7(2)9(15)4-14-6-13-10-8(3)5-17-11(10)12(14)16/h5-7H,4H2,1-3H3
InChIKeyASXXZWKVEFYEMT-UHFFFAOYSA-N
MW250.32 g/mol
LogP1.99
Rot. Bonds3

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

7-methyl-3-(3-methyl-2-oxobutyl)thieno[3,2-d]pyrimidin-4-one (PubChem CID 102685394) has the molecular formula C12H14N2O2S and a molecular weight of 250.32 g/mol. Its IUPAC name is 7-methyl-3-(3-methyl-2-oxobutyl)thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-methyl-3-(3-methyl-2-oxobutyl)thieno[3,2-d]pyrimidin-4-one
PubChem CID102685394
Molecular FormulaC12H14N2O2S
Molecular Weight250.32 g/mol
Exact Mass250.08
IUPAC Name7-methyl-3-(3-methyl-2-oxobutyl)thieno[3,2-d]pyrimidin-4-one
SMILESCc1csc2c(=O)n(CC(=O)C(C)C)cnc12
InChIInChI=1S/C12H14N2O2S/c1-7(2)9(15)4-14-6-13-10-8(3)5-17-11(10)12(14)16/h5-7H,4H2,1-3H3
InChIKeyASXXZWKVEFYEMT-UHFFFAOYSA-N
XLogP1.99
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

7-methyl-3-(2-methylpropyl)thieno[3,2-d]pyrimidin-4-one
CID 102685602
N-(1-methoxypropan-2-yl)-2-(7-methyl-4-oxothieno[3,2-d]pyrimidin-3-yl)acetamide
CID 102685858
3-[2-(4-bromophenyl)-2-oxoethyl]-7-methylthieno[3,2-d]pyrimidin-4-one
CID 102685418
3-(3-bromo-2-methylpropyl)-7-methylthieno[3,2-d]pyrimidin-4-one
CID 102685349
2-(7-methyl-4-oxothieno[3,2-d]pyrimidin-3-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 102685784
N-cyclopropyl-N-methyl-2-(7-methyl-4-oxothieno[3,2-d]pyrimidin-3-yl)acetamide
CID 102685631
3-(4-chlorobutyl)-7-methylthieno[3,2-d]pyrimidin-4-one
CID 102685321
3-heptyl-7-methylthieno[3,2-d]pyrimidin-4-one
CID 102685714
7-methyl-3-(3-methylbut-3-enyl)thieno[3,2-d]pyrimidin-4-one
CID 102685683
3-(3-hydroxy-2,2-dimethylpropyl)-7-methylthieno[3,2-d]pyrimidin-4-one
CID 39796651
3-[(7-methyl-4-oxothieno[3,2-d]pyrimidin-3-yl)methyl]thiophene-2-carboxylic acid
CID 102685307
N-(4-methylcyclohexyl)-2-(7-methyl-4-oxothieno[3,2-d]pyrimidin-3-yl)acetamide
CID 146130124

Frequently Asked Questions

What is the IUPAC name of 7-methyl-3-(3-methyl-2-oxobutyl)thieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 7-methyl-3-(3-methyl-2-oxobutyl)thieno[3,2-d]pyrimidin-4-one (CID 102685394) is 7-methyl-3-(3-methyl-2-oxobutyl)thieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 7-methyl-3-(3-methyl-2-oxobutyl)thieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 7-methyl-3-(3-methyl-2-oxobutyl)thieno[3,2-d]pyrimidin-4-one is Cc1csc2c(=O)n(CC(=O)C(C)C)cnc12.
What is the InChIKey of 7-methyl-3-(3-methyl-2-oxobutyl)thieno[3,2-d]pyrimidin-4-one?
The InChIKey is ASXXZWKVEFYEMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2S/c1-7(2)9(15)4-14-6-13-10-8(3)5-17-11(10)12(14)16/h5-7H,4H2,1-3H3.
What are the key properties of 7-methyl-3-(3-methyl-2-oxobutyl)thieno[3,2-d]pyrimidin-4-one?
7-methyl-3-(3-methyl-2-oxobutyl)thieno[3,2-d]pyrimidin-4-one has a molecular weight of 250.32 g/mol, XLogP of 1.99, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-3-(3-methyl-2-oxobutyl)thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 102685394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).