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

C12H14N2OS — CID 102685683

IUPAC7-methyl-3-(3-methylbut-3-enyl)thieno[3,2-d]pyrimidin-4-one
SMILESC=C(C)CCn1cnc2c(C)csc2c1=O
InChIInChI=1S/C12H14N2OS/c1-8(2)4-5-14-7-13-10-9(3)6-16-11(10)12(14)15/h6-7H,1,4-5H2,2-3H3
InChIKeyUQZKQHYRNJBYHU-UHFFFAOYSA-N
MW234.32 g/mol
LogP2.73
Rot. Bonds3

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

7-methyl-3-(3-methylbut-3-enyl)thieno[3,2-d]pyrimidin-4-one (PubChem CID 102685683) has the molecular formula C12H14N2OS and a molecular weight of 234.32 g/mol. Its IUPAC name is 7-methyl-3-(3-methylbut-3-enyl)thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-methyl-3-(3-methylbut-3-enyl)thieno[3,2-d]pyrimidin-4-one
PubChem CID102685683
Molecular FormulaC12H14N2OS
Molecular Weight234.32 g/mol
Exact Mass234.08
IUPAC Name7-methyl-3-(3-methylbut-3-enyl)thieno[3,2-d]pyrimidin-4-one
SMILESC=C(C)CCn1cnc2c(C)csc2c1=O
InChIInChI=1S/C12H14N2OS/c1-8(2)4-5-14-7-13-10-9(3)6-16-11(10)12(14)15/h6-7H,1,4-5H2,2-3H3
InChIKeyUQZKQHYRNJBYHU-UHFFFAOYSA-N
XLogP2.73
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-(4-chlorobutyl)-7-methylthieno[3,2-d]pyrimidin-4-one
CID 102685321
7-methyl-3-(2-methylpropyl)thieno[3,2-d]pyrimidin-4-one
CID 102685602
3-heptyl-7-methylthieno[3,2-d]pyrimidin-4-one
CID 102685714
3-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-7-methylthieno[3,2-d]pyrimidin-4-one
CID 39834339
7-methyl-3-(3-methyl-2-oxobutyl)thieno[3,2-d]pyrimidin-4-one
CID 102685394
3-(3-hydroxy-2,2-dimethylpropyl)-7-methylthieno[3,2-d]pyrimidin-4-one
CID 39796651
3-[(E)-3-chloroprop-2-enyl]-7-methylthieno[3,2-d]pyrimidin-4-one
CID 102685617
3-[(3,5-dimethylphenyl)methyl]-7-methylthieno[3,2-d]pyrimidin-4-one
CID 102685812
3-[[1-(bromomethyl)cyclopropyl]methyl]-7-methylthieno[3,2-d]pyrimidin-4-one
CID 102685324
7-methyl-3-(2-pyridin-3-ylethyl)thieno[3,2-d]pyrimidin-4-one
CID 102685622
3-[2-(4-fluoroanilino)ethyl]-7-methylthieno[3,2-d]pyrimidin-4-one
CID 102685564
3-(3-bromo-2-methylpropyl)-7-methylthieno[3,2-d]pyrimidin-4-one
CID 102685349

Frequently Asked Questions

What is the IUPAC name of 7-methyl-3-(3-methylbut-3-enyl)thieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 7-methyl-3-(3-methylbut-3-enyl)thieno[3,2-d]pyrimidin-4-one (CID 102685683) is 7-methyl-3-(3-methylbut-3-enyl)thieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 7-methyl-3-(3-methylbut-3-enyl)thieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 7-methyl-3-(3-methylbut-3-enyl)thieno[3,2-d]pyrimidin-4-one is C=C(C)CCn1cnc2c(C)csc2c1=O.
What is the InChIKey of 7-methyl-3-(3-methylbut-3-enyl)thieno[3,2-d]pyrimidin-4-one?
The InChIKey is UQZKQHYRNJBYHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2OS/c1-8(2)4-5-14-7-13-10-9(3)6-16-11(10)12(14)15/h6-7H,1,4-5H2,2-3H3.
What are the key properties of 7-methyl-3-(3-methylbut-3-enyl)thieno[3,2-d]pyrimidin-4-one?
7-methyl-3-(3-methylbut-3-enyl)thieno[3,2-d]pyrimidin-4-one has a molecular weight of 234.32 g/mol, XLogP of 2.73, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-3-(3-methylbut-3-enyl)thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 102685683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).