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

C11H14N2OS2 — CID 2495122

IUPAC3-methyl-2-(2-methylpropylsulfanyl)thieno[2,3-d]pyrimidin-4-one
SMILESCC(C)CSc1nc2sccc2c(=O)n1C
InChIInChI=1S/C11H14N2OS2/c1-7(2)6-16-11-12-9-8(4-5-15-9)10(14)13(11)3/h4-5,7H,6H2,1-3H3
InChIKeyUOQFMTMVYIJJTB-UHFFFAOYSA-N
MW254.38 g/mol
LogP2.74
Rot. Bonds3

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

3-methyl-2-(2-methylpropylsulfanyl)thieno[2,3-d]pyrimidin-4-one (PubChem CID 2495122) has the molecular formula C11H14N2OS2 and a molecular weight of 254.38 g/mol. Its IUPAC name is 3-methyl-2-(2-methylpropylsulfanyl)thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-methyl-2-(2-methylpropylsulfanyl)thieno[2,3-d]pyrimidin-4-one
PubChem CID2495122
Molecular FormulaC11H14N2OS2
Molecular Weight254.38 g/mol
Exact Mass254.05
IUPAC Name3-methyl-2-(2-methylpropylsulfanyl)thieno[2,3-d]pyrimidin-4-one
SMILESCC(C)CSc1nc2sccc2c(=O)n1C
InChIInChI=1S/C11H14N2OS2/c1-7(2)6-16-11-12-9-8(4-5-15-9)10(14)13(11)3/h4-5,7H,6H2,1-3H3
InChIKeyUOQFMTMVYIJJTB-UHFFFAOYSA-N
XLogP2.74
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-2-[[2-(3-methylbutyl)-1,3-thiazol-4-yl]methylsulfanyl]thieno[2,3-d]pyrimidin-4-one
CID 48551249
2-(3-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide
CID 35772690
3-methyl-2-[(3-methylphenyl)methylsulfanyl]thieno[2,3-d]pyrimidin-4-one
CID 47096214
N-ethyl-2-(3-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(2-methylprop-2-enyl)acetamide
CID 78764101
N-methyl-2-(3-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylpropanamide
CID 46824944
3-methyl-2-[[2-(2-methylanilino)-1,3-thiazol-4-yl]methylsulfanyl]thieno[2,3-d]pyrimidin-4-one
CID 78764102
N-(2-fluorophenyl)-2-(3-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide
CID 35772809
2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]-3-methylthieno[2,3-d]pyrimidin-4-one
CID 31273719
N-(3-methyl-1,2-oxazol-5-yl)-2-(3-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide
CID 30173583
2-[2-[4-(difluoromethoxy)phenyl]-2-oxoethyl]sulfanyl-3-methylthieno[2,3-d]pyrimidin-4-one
CID 35772813
N-(4-bromophenyl)-2-(3-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide
CID 35772686
3-methyl-2-[(7-methyl-2-oxo-6-propan-2-ylchromen-4-yl)methylsulfanyl]thieno[2,3-d]pyrimidin-4-one
CID 35861513

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(2-methylpropylsulfanyl)thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 3-methyl-2-(2-methylpropylsulfanyl)thieno[2,3-d]pyrimidin-4-one (CID 2495122) is 3-methyl-2-(2-methylpropylsulfanyl)thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 3-methyl-2-(2-methylpropylsulfanyl)thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 3-methyl-2-(2-methylpropylsulfanyl)thieno[2,3-d]pyrimidin-4-one is CC(C)CSc1nc2sccc2c(=O)n1C.
What is the InChIKey of 3-methyl-2-(2-methylpropylsulfanyl)thieno[2,3-d]pyrimidin-4-one?
The InChIKey is UOQFMTMVYIJJTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2OS2/c1-7(2)6-16-11-12-9-8(4-5-15-9)10(14)13(11)3/h4-5,7H,6H2,1-3H3.
What are the key properties of 3-methyl-2-(2-methylpropylsulfanyl)thieno[2,3-d]pyrimidin-4-one?
3-methyl-2-(2-methylpropylsulfanyl)thieno[2,3-d]pyrimidin-4-one has a molecular weight of 254.38 g/mol, XLogP of 2.74, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(2-methylpropylsulfanyl)thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 2495122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).