3-amino-5-(furan-2-yl)-2-methylthieno[2,3-d]pyrimidin-4-one

C11H9N3O2S — CID 512191

IUPAC3-amino-5-(furan-2-yl)-2-methylthieno[2,3-d]pyrimidin-4-one
SMILESCc1nc2scc(-c3ccco3)c2c(=O)n1N
InChIInChI=1S/C11H9N3O2S/c1-6-13-10-9(11(15)14(6)12)7(5-17-10)8-3-2-4-16-8/h2-5H,12H2,1H3
InChIKeySUHVYKWQQDDZRK-UHFFFAOYSA-N
MW247.28 g/mol
LogP1.74
Rot. Bonds1

About 3-amino-5-(furan-2-yl)-2-methylthieno[2,3-d]pyrimidin-4-one

3-amino-5-(furan-2-yl)-2-methylthieno[2,3-d]pyrimidin-4-one (PubChem CID 512191) has the molecular formula C11H9N3O2S and a molecular weight of 247.28 g/mol. Its IUPAC name is 3-amino-5-(furan-2-yl)-2-methylthieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-amino-5-(furan-2-yl)-2-methylthieno[2,3-d]pyrimidin-4-one
PubChem CID512191
Molecular FormulaC11H9N3O2S
Molecular Weight247.28 g/mol
Exact Mass247.04
IUPAC Name3-amino-5-(furan-2-yl)-2-methylthieno[2,3-d]pyrimidin-4-one
SMILESCc1nc2scc(-c3ccco3)c2c(=O)n1N
InChIInChI=1S/C11H9N3O2S/c1-6-13-10-9(11(15)14(6)12)7(5-17-10)8-3-2-4-16-8/h2-5H,12H2,1H3
InChIKeySUHVYKWQQDDZRK-UHFFFAOYSA-N
XLogP1.74
TPSA74.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.28
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-(furan-2-yl)-2-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]acetamide
CID 512199
2-[5-(furan-2-yl)-4-oxo-2-propan-2-ylthieno[2,3-d]pyrimidin-3-yl]acetonitrile
CID 39158810
3-[5-(furan-2-yl)-4-oxo-2-propan-2-ylthieno[2,3-d]pyrimidin-3-yl]propanoic acid
CID 28899915
3-ethyl-5-(furan-2-yl)-2-piperazin-1-ylthieno[2,3-d]pyrimidin-4-one
CID 39163734
2-[5-(furan-2-yl)-4-oxothieno[2,3-d]pyrimidin-3-yl]ethanethioamide
CID 39159325
5-(furan-2-yl)-2-(2-oxopropylsulfanyl)-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one
CID 2386969
3-[5-(furan-2-yl)-4-oxothieno[2,3-d]pyrimidin-3-yl]-2,2-dimethylpropanoic acid
CID 28898290
2-[5-(furan-2-yl)-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl]sulfanylacetaldehyde
CID 143287330
4-[5-(furan-2-yl)-4-oxo-2-pyridin-2-ylthieno[2,3-d]pyrimidin-3-yl]butanoic acid
CID 28896910
N-tert-butyl-2-[3-ethyl-5-(furan-2-yl)-4-oxothieno[2,3-d]pyrimidin-2-yl]sulfanylacetamide
CID 17430622
4-[5-(furan-2-yl)-4-oxothieno[2,3-d]pyrimidin-3-yl]butanoic acid
CID 28897471
2-(2-chlorophenyl)-5-(furan-2-yl)-3H-thieno[2,3-d]pyrimidin-4-one
CID 28868535

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(furan-2-yl)-2-methylthieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 3-amino-5-(furan-2-yl)-2-methylthieno[2,3-d]pyrimidin-4-one (CID 512191) is 3-amino-5-(furan-2-yl)-2-methylthieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 3-amino-5-(furan-2-yl)-2-methylthieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 3-amino-5-(furan-2-yl)-2-methylthieno[2,3-d]pyrimidin-4-one is Cc1nc2scc(-c3ccco3)c2c(=O)n1N.
What is the InChIKey of 3-amino-5-(furan-2-yl)-2-methylthieno[2,3-d]pyrimidin-4-one?
The InChIKey is SUHVYKWQQDDZRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O2S/c1-6-13-10-9(11(15)14(6)12)7(5-17-10)8-3-2-4-16-8/h2-5H,12H2,1H3.
What are the key properties of 3-amino-5-(furan-2-yl)-2-methylthieno[2,3-d]pyrimidin-4-one?
3-amino-5-(furan-2-yl)-2-methylthieno[2,3-d]pyrimidin-4-one has a molecular weight of 247.28 g/mol, XLogP of 1.74, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(furan-2-yl)-2-methylthieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 512191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).