2-(6-ethyl-4-oxo-2-pyridin-4-ylthieno[2,3-d]pyrimidin-3-yl)acetonitrile

C15H12N4OS — CID 39158870

IUPAC2-(6-ethyl-4-oxo-2-pyridin-4-ylthieno[2,3-d]pyrimidin-3-yl)acetonitrile
SMILESCCc1cc2c(=O)n(CC#N)c(-c3ccncc3)nc2s1
InChIInChI=1S/C15H12N4OS/c1-2-11-9-12-14(21-11)18-13(10-3-6-17-7-4-10)19(8-5-16)15(12)20/h3-4,6-7,9H,2,8H2,1H3
InChIKeyPQHHRBPEQPMEMY-UHFFFAOYSA-N
MW296.36 g/mol
LogP2.61
Rot. Bonds3

About 2-(6-ethyl-4-oxo-2-pyridin-4-ylthieno[2,3-d]pyrimidin-3-yl)acetonitrile

2-(6-ethyl-4-oxo-2-pyridin-4-ylthieno[2,3-d]pyrimidin-3-yl)acetonitrile (PubChem CID 39158870) has the molecular formula C15H12N4OS and a molecular weight of 296.36 g/mol. Its IUPAC name is 2-(6-ethyl-4-oxo-2-pyridin-4-ylthieno[2,3-d]pyrimidin-3-yl)acetonitrile.

Molecular Properties

Compound Name2-(6-ethyl-4-oxo-2-pyridin-4-ylthieno[2,3-d]pyrimidin-3-yl)acetonitrile
PubChem CID39158870
Molecular FormulaC15H12N4OS
Molecular Weight296.36 g/mol
Exact Mass296.07
IUPAC Name2-(6-ethyl-4-oxo-2-pyridin-4-ylthieno[2,3-d]pyrimidin-3-yl)acetonitrile
SMILESCCc1cc2c(=O)n(CC#N)c(-c3ccncc3)nc2s1
InChIInChI=1S/C15H12N4OS/c1-2-11-9-12-14(21-11)18-13(10-3-6-17-7-4-10)19(8-5-16)15(12)20/h3-4,6-7,9H,2,8H2,1H3
InChIKeyPQHHRBPEQPMEMY-UHFFFAOYSA-N
XLogP2.61
TPSA71.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.36
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(6-ethyl-4-oxo-2-phenylthieno[2,3-d]pyrimidin-3-yl)acetonitrile
CID 39158813
2-(6-methyl-2-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)acetonitrile
CID 82143696
2-(2-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetonitrile
CID 23411280
6-ethyl-2-methyl-3-propan-2-ylthieno[2,3-d]pyrimidin-4-one
CID 28692485
3-(4-oxo-6-phenyl-2-pyridin-4-ylthieno[2,3-d]pyrimidin-3-yl)propanoic acid
CID 28900516
6-ethyl-3-(3-oxobutyl)-2-propylthieno[2,3-d]pyrimidin-4-one
CID 110832674
3-benzyl-6-ethyl-4-oxothieno[2,3-d]pyrimidine-2-carboxamide
CID 6421611
11-ethyl-7-phenyl-10-thia-3,4,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
CID 50946465
2-[2-(4-hydroxyphenyl)-4-oxoquinazolin-3-yl]acetonitrile
CID 137155254
3-[3-(6-ethyl-2-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)propanoylamino]propanoic acid
CID 82032938
ethyl 4-[(6-ethyl-2-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)methyl]benzoate
CID 28692459
3-[2-(4-tert-butylphenoxy)ethyl]-6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-one
CID 28692529

Frequently Asked Questions

What is the IUPAC name of 2-(6-ethyl-4-oxo-2-pyridin-4-ylthieno[2,3-d]pyrimidin-3-yl)acetonitrile?
The IUPAC name of 2-(6-ethyl-4-oxo-2-pyridin-4-ylthieno[2,3-d]pyrimidin-3-yl)acetonitrile (CID 39158870) is 2-(6-ethyl-4-oxo-2-pyridin-4-ylthieno[2,3-d]pyrimidin-3-yl)acetonitrile.
What is the SMILES notation for 2-(6-ethyl-4-oxo-2-pyridin-4-ylthieno[2,3-d]pyrimidin-3-yl)acetonitrile?
The canonical SMILES for 2-(6-ethyl-4-oxo-2-pyridin-4-ylthieno[2,3-d]pyrimidin-3-yl)acetonitrile is CCc1cc2c(=O)n(CC#N)c(-c3ccncc3)nc2s1.
What is the InChIKey of 2-(6-ethyl-4-oxo-2-pyridin-4-ylthieno[2,3-d]pyrimidin-3-yl)acetonitrile?
The InChIKey is PQHHRBPEQPMEMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4OS/c1-2-11-9-12-14(21-11)18-13(10-3-6-17-7-4-10)19(8-5-16)15(12)20/h3-4,6-7,9H,2,8H2,1H3.
What are the key properties of 2-(6-ethyl-4-oxo-2-pyridin-4-ylthieno[2,3-d]pyrimidin-3-yl)acetonitrile?
2-(6-ethyl-4-oxo-2-pyridin-4-ylthieno[2,3-d]pyrimidin-3-yl)acetonitrile has a molecular weight of 296.36 g/mol, XLogP of 2.61, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-ethyl-4-oxo-2-pyridin-4-ylthieno[2,3-d]pyrimidin-3-yl)acetonitrile is sourced from PubChem (CID 39158870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).