2-(2-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetonitrile

C15H11N3OS — CID 23411280

IUPAC2-(2-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetonitrile
SMILESCc1nc2sc(-c3ccccc3)cc2c(=O)n1CC#N
InChIInChI=1S/C15H11N3OS/c1-10-17-14-12(15(19)18(10)8-7-16)9-13(20-14)11-5-3-2-4-6-11/h2-6,9H,8H2,1H3
InChIKeyAEROXRUUPRMYAM-UHFFFAOYSA-N
MW281.34 g/mol
LogP2.96
Rot. Bonds2

About 2-(2-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetonitrile

2-(2-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetonitrile (PubChem CID 23411280) has the molecular formula C15H11N3OS and a molecular weight of 281.34 g/mol. Its IUPAC name is 2-(2-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetonitrile.

Molecular Properties

Compound Name2-(2-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetonitrile
PubChem CID23411280
Molecular FormulaC15H11N3OS
Molecular Weight281.34 g/mol
Exact Mass281.06
IUPAC Name2-(2-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetonitrile
SMILESCc1nc2sc(-c3ccccc3)cc2c(=O)n1CC#N
InChIInChI=1S/C15H11N3OS/c1-10-17-14-12(15(19)18(10)8-7-16)9-13(20-14)11-5-3-2-4-6-11/h2-6,9H,8H2,1H3
InChIKeyAEROXRUUPRMYAM-UHFFFAOYSA-N
XLogP2.96
TPSA58.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetonitrile?
The IUPAC name of 2-(2-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetonitrile (CID 23411280) is 2-(2-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetonitrile.
What is the SMILES notation for 2-(2-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetonitrile?
The canonical SMILES for 2-(2-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetonitrile is Cc1nc2sc(-c3ccccc3)cc2c(=O)n1CC#N.
What is the InChIKey of 2-(2-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetonitrile?
The InChIKey is AEROXRUUPRMYAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3OS/c1-10-17-14-12(15(19)18(10)8-7-16)9-13(20-14)11-5-3-2-4-6-11/h2-6,9H,8H2,1H3.
What are the key properties of 2-(2-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetonitrile?
2-(2-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetonitrile has a molecular weight of 281.34 g/mol, XLogP of 2.96, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetonitrile is sourced from PubChem (CID 23411280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).