3-(3-oxopentan-2-yl)thieno[3,2-d]pyrimidin-4-one

C11H12N2O2S — CID 64866296

IUPAC3-(3-oxopentan-2-yl)thieno[3,2-d]pyrimidin-4-one
SMILESCCC(=O)C(C)n1cnc2ccsc2c1=O
InChIInChI=1S/C11H12N2O2S/c1-3-9(14)7(2)13-6-12-8-4-5-16-10(8)11(13)15/h4-7H,3H2,1-2H3
InChIKeySIGHLPHNMGDYQS-UHFFFAOYSA-N
MW236.30 g/mol
LogP2.00
Rot. Bonds3

About 3-(3-oxopentan-2-yl)thieno[3,2-d]pyrimidin-4-one

3-(3-oxopentan-2-yl)thieno[3,2-d]pyrimidin-4-one (PubChem CID 64866296) has the molecular formula C11H12N2O2S and a molecular weight of 236.30 g/mol. Its IUPAC name is 3-(3-oxopentan-2-yl)thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-(3-oxopentan-2-yl)thieno[3,2-d]pyrimidin-4-one
PubChem CID64866296
Molecular FormulaC11H12N2O2S
Molecular Weight236.30 g/mol
Exact Mass236.06
IUPAC Name3-(3-oxopentan-2-yl)thieno[3,2-d]pyrimidin-4-one
SMILESCCC(=O)C(C)n1cnc2ccsc2c1=O
InChIInChI=1S/C11H12N2O2S/c1-3-9(14)7(2)13-6-12-8-4-5-16-10(8)11(13)15/h4-7H,3H2,1-2H3
InChIKeySIGHLPHNMGDYQS-UHFFFAOYSA-N
XLogP2.00
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3H,4H-thieno[3,2-d]pyrimidin-4-one
CID 135417422
2-(Cyclopentylamino)-3-ethylthieno[3,2-d]pyrimidin-4-one
CID 118719988
2-(Cyclohexylamino)-3-ethylthieno[3,2-d]pyrimidin-4-one
CID 118719989
3-Ethyl-2-(propan-2-ylamino)thieno[3,2-d]pyrimidin-4-one
CID 118729736
2-(Cyclobutylamino)-3-ethylthieno[3,2-d]pyrimidin-4-one
CID 118729740
3-(dimethylamino)thieno[3,2-d]pyrimidin-4(3H)-one
CID 1478283
3H-Thieno[3,2-d]pyrimidin-4-one, 3-ethyl-2-[2-(2-methylpiperidin-1-yl)-2-oxoethylsulfanyl]-
CID 3677285
2-((methylamino)methyl)thieno[3,2-d]pyrimidin-4(3H)-one
CID 135600413
3-ethyl-2-(propylsulfanyl)thieno[3,2-d]pyrimidin-4(3H)-one
CID 3484012
3-Butyl-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanylthieno[3,2-d]pyrimidin-4-one
CID 3644807
3-Methyl-2-(prop-2-enylamino)thieno[3,2-d]pyrimidin-4-one
CID 118719987
3-Ethyl-2-(ethylamino)thieno[3,2-d]pyrimidin-4-one
CID 118729734

Frequently Asked Questions

What is the IUPAC name of 3-(3-oxopentan-2-yl)thieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 3-(3-oxopentan-2-yl)thieno[3,2-d]pyrimidin-4-one (CID 64866296) is 3-(3-oxopentan-2-yl)thieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 3-(3-oxopentan-2-yl)thieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 3-(3-oxopentan-2-yl)thieno[3,2-d]pyrimidin-4-one is CCC(=O)C(C)n1cnc2ccsc2c1=O.
What is the InChIKey of 3-(3-oxopentan-2-yl)thieno[3,2-d]pyrimidin-4-one?
The InChIKey is SIGHLPHNMGDYQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2S/c1-3-9(14)7(2)13-6-12-8-4-5-16-10(8)11(13)15/h4-7H,3H2,1-2H3.
What are the key properties of 3-(3-oxopentan-2-yl)thieno[3,2-d]pyrimidin-4-one?
3-(3-oxopentan-2-yl)thieno[3,2-d]pyrimidin-4-one has a molecular weight of 236.30 g/mol, XLogP of 2.00, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-oxopentan-2-yl)thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 64866296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).