5-(4-amino-6-benzylthieno[2,3-d]pyrimidin-2-yl)furan-2-carbonitrile

C18H12N4OS — CID 45275819

IUPAC5-(4-amino-6-benzylthieno[2,3-d]pyrimidin-2-yl)furan-2-carbonitrile
SMILESN#Cc1ccc(-c2nc(N)c3cc(Cc4ccccc4)sc3n2)o1
InChIInChI=1S/C18H12N4OS/c19-10-12-6-7-15(23-12)17-21-16(20)14-9-13(24-18(14)22-17)8-11-4-2-1-3-5-11/h1-7,9H,8H2,(H2,20,21,22)
InChIKeyCRBRCZHPLVWUME-UHFFFAOYSA-N
MW332.39 g/mol
LogP4.00
Rot. Bonds3

About 5-(4-amino-6-benzylthieno[2,3-d]pyrimidin-2-yl)furan-2-carbonitrile

5-(4-amino-6-benzylthieno[2,3-d]pyrimidin-2-yl)furan-2-carbonitrile (PubChem CID 45275819) has the molecular formula C18H12N4OS and a molecular weight of 332.39 g/mol. Its IUPAC name is 5-(4-amino-6-benzylthieno[2,3-d]pyrimidin-2-yl)furan-2-carbonitrile.

Molecular Properties

Compound Name5-(4-amino-6-benzylthieno[2,3-d]pyrimidin-2-yl)furan-2-carbonitrile
PubChem CID45275819
Molecular FormulaC18H12N4OS
Molecular Weight332.39 g/mol
Exact Mass332.07
IUPAC Name5-(4-amino-6-benzylthieno[2,3-d]pyrimidin-2-yl)furan-2-carbonitrile
SMILESN#Cc1ccc(-c2nc(N)c3cc(Cc4ccccc4)sc3n2)o1
InChIInChI=1S/C18H12N4OS/c19-10-12-6-7-15(23-12)17-21-16(20)14-9-13(24-18(14)22-17)8-11-4-2-1-3-5-11/h1-7,9H,8H2,(H2,20,21,22)
InChIKeyCRBRCZHPLVWUME-UHFFFAOYSA-N
XLogP4.00
TPSA88.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.39
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-(4-amino-6-benzylthieno[2,3-d]pyrimidin-2-yl)furan-2-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(4-amino-6-benzylthieno[2,3-d]pyrimidin-2-yl)furan-2-carbonitrile?
The IUPAC name of 5-(4-amino-6-benzylthieno[2,3-d]pyrimidin-2-yl)furan-2-carbonitrile (CID 45275819) is 5-(4-amino-6-benzylthieno[2,3-d]pyrimidin-2-yl)furan-2-carbonitrile.
What is the SMILES notation for 5-(4-amino-6-benzylthieno[2,3-d]pyrimidin-2-yl)furan-2-carbonitrile?
The canonical SMILES for 5-(4-amino-6-benzylthieno[2,3-d]pyrimidin-2-yl)furan-2-carbonitrile is N#Cc1ccc(-c2nc(N)c3cc(Cc4ccccc4)sc3n2)o1.
What is the InChIKey of 5-(4-amino-6-benzylthieno[2,3-d]pyrimidin-2-yl)furan-2-carbonitrile?
The InChIKey is CRBRCZHPLVWUME-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N4OS/c19-10-12-6-7-15(23-12)17-21-16(20)14-9-13(24-18(14)22-17)8-11-4-2-1-3-5-11/h1-7,9H,8H2,(H2,20,21,22).
What are the key properties of 5-(4-amino-6-benzylthieno[2,3-d]pyrimidin-2-yl)furan-2-carbonitrile?
5-(4-amino-6-benzylthieno[2,3-d]pyrimidin-2-yl)furan-2-carbonitrile has a molecular weight of 332.39 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-amino-6-benzylthieno[2,3-d]pyrimidin-2-yl)furan-2-carbonitrile is sourced from PubChem (CID 45275819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).