2-[5-(furan-2-yl)-4-oxo-2-propan-2-ylthieno[2,3-d]pyrimidin-3-yl]acetonitrile

C15H13N3O2S — CID 39158810

IUPAC2-[5-(furan-2-yl)-4-oxo-2-propan-2-ylthieno[2,3-d]pyrimidin-3-yl]acetonitrile
SMILESCC(C)c1nc2scc(-c3ccco3)c2c(=O)n1CC#N
InChIInChI=1S/C15H13N3O2S/c1-9(2)13-17-14-12(15(19)18(13)6-5-16)10(8-21-14)11-4-3-7-20-11/h3-4,7-9H,6H2,1-2H3
InChIKeySXTROTCMVVRZQR-UHFFFAOYSA-N
MW299.36 g/mol
LogP3.36
Rot. Bonds3

About 2-[5-(furan-2-yl)-4-oxo-2-propan-2-ylthieno[2,3-d]pyrimidin-3-yl]acetonitrile

2-[5-(furan-2-yl)-4-oxo-2-propan-2-ylthieno[2,3-d]pyrimidin-3-yl]acetonitrile (PubChem CID 39158810) has the molecular formula C15H13N3O2S and a molecular weight of 299.36 g/mol. Its IUPAC name is 2-[5-(furan-2-yl)-4-oxo-2-propan-2-ylthieno[2,3-d]pyrimidin-3-yl]acetonitrile.

Molecular Properties

Compound Name2-[5-(furan-2-yl)-4-oxo-2-propan-2-ylthieno[2,3-d]pyrimidin-3-yl]acetonitrile
PubChem CID39158810
Molecular FormulaC15H13N3O2S
Molecular Weight299.36 g/mol
Exact Mass299.07
IUPAC Name2-[5-(furan-2-yl)-4-oxo-2-propan-2-ylthieno[2,3-d]pyrimidin-3-yl]acetonitrile
SMILESCC(C)c1nc2scc(-c3ccco3)c2c(=O)n1CC#N
InChIInChI=1S/C15H13N3O2S/c1-9(2)13-17-14-12(15(19)18(13)6-5-16)10(8-21-14)11-4-3-7-20-11/h3-4,7-9H,6H2,1-2H3
InChIKeySXTROTCMVVRZQR-UHFFFAOYSA-N
XLogP3.36
TPSA71.82 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.36
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[5-(furan-2-yl)-4-oxo-2-propan-2-ylthieno[2,3-d]pyrimidin-3-yl]propanoic acid
CID 28899915
3-amino-5-(furan-2-yl)-2-methylthieno[2,3-d]pyrimidin-4-one
CID 512191
3-ethyl-5-(furan-2-yl)-2-piperazin-1-ylthieno[2,3-d]pyrimidin-4-one
CID 39163734
N-[5-(furan-2-yl)-2-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]acetamide
CID 512199
2-[5-(3-methoxyphenyl)-2-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]acetonitrile
CID 39158790
N-tert-butyl-2-[3-ethyl-5-(furan-2-yl)-4-oxothieno[2,3-d]pyrimidin-2-yl]sulfanylacetamide
CID 17430622
2-(4-oxo-5-phenyl-2-propan-2-ylthieno[2,3-d]pyrimidin-3-yl)acetic acid
CID 28898441
5-(furan-2-yl)-2-(2-oxopropylsulfanyl)-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one
CID 2386969
2-[5-(furan-2-yl)-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl]sulfanylacetaldehyde
CID 143287330
3-[5-(4-chlorophenyl)-4-oxo-2-propan-2-ylthieno[2,3-d]pyrimidin-3-yl]propanoic acid
CID 28899857
3-[[5-(furan-2-yl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]sulfanyl]propanenitrile
CID 39158911
2-(4-oxo-2-propan-2-yl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)acetic acid
CID 28898499

Frequently Asked Questions

What is the IUPAC name of 2-[5-(furan-2-yl)-4-oxo-2-propan-2-ylthieno[2,3-d]pyrimidin-3-yl]acetonitrile?
The IUPAC name of 2-[5-(furan-2-yl)-4-oxo-2-propan-2-ylthieno[2,3-d]pyrimidin-3-yl]acetonitrile (CID 39158810) is 2-[5-(furan-2-yl)-4-oxo-2-propan-2-ylthieno[2,3-d]pyrimidin-3-yl]acetonitrile.
What is the SMILES notation for 2-[5-(furan-2-yl)-4-oxo-2-propan-2-ylthieno[2,3-d]pyrimidin-3-yl]acetonitrile?
The canonical SMILES for 2-[5-(furan-2-yl)-4-oxo-2-propan-2-ylthieno[2,3-d]pyrimidin-3-yl]acetonitrile is CC(C)c1nc2scc(-c3ccco3)c2c(=O)n1CC#N.
What is the InChIKey of 2-[5-(furan-2-yl)-4-oxo-2-propan-2-ylthieno[2,3-d]pyrimidin-3-yl]acetonitrile?
The InChIKey is SXTROTCMVVRZQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2S/c1-9(2)13-17-14-12(15(19)18(13)6-5-16)10(8-21-14)11-4-3-7-20-11/h3-4,7-9H,6H2,1-2H3.
What are the key properties of 2-[5-(furan-2-yl)-4-oxo-2-propan-2-ylthieno[2,3-d]pyrimidin-3-yl]acetonitrile?
2-[5-(furan-2-yl)-4-oxo-2-propan-2-ylthieno[2,3-d]pyrimidin-3-yl]acetonitrile has a molecular weight of 299.36 g/mol, XLogP of 3.36, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(furan-2-yl)-4-oxo-2-propan-2-ylthieno[2,3-d]pyrimidin-3-yl]acetonitrile is sourced from PubChem (CID 39158810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).