2-benzyl-4-chloro-5-phenylthieno[2,3-d]pyrimidine

C19H13ClN2S — CID 12824912

IUPAC2-benzyl-4-chloro-5-phenylthieno[2,3-d]pyrimidine
SMILESClc1nc(Cc2ccccc2)nc2scc(-c3ccccc3)c12
InChIInChI=1S/C19H13ClN2S/c20-18-17-15(14-9-5-2-6-10-14)12-23-19(17)22-16(21-18)11-13-7-3-1-4-8-13/h1-10,12H,11H2
InChIKeyBNDCXJHCZDJTHK-UHFFFAOYSA-N
MW336.85 g/mol
LogP5.60
Rot. Bonds3

About 2-benzyl-4-chloro-5-phenylthieno[2,3-d]pyrimidine

2-benzyl-4-chloro-5-phenylthieno[2,3-d]pyrimidine (PubChem CID 12824912) has the molecular formula C19H13ClN2S and a molecular weight of 336.85 g/mol. Its IUPAC name is 2-benzyl-4-chloro-5-phenylthieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name2-benzyl-4-chloro-5-phenylthieno[2,3-d]pyrimidine
PubChem CID12824912
Molecular FormulaC19H13ClN2S
Molecular Weight336.85 g/mol
Exact Mass336.05
IUPAC Name2-benzyl-4-chloro-5-phenylthieno[2,3-d]pyrimidine
SMILESClc1nc(Cc2ccccc2)nc2scc(-c3ccccc3)c12
InChIInChI=1S/C19H13ClN2S/c20-18-17-15(14-9-5-2-6-10-14)12-23-19(17)22-16(21-18)11-13-7-3-1-4-8-13/h1-10,12H,11H2
InChIKeyBNDCXJHCZDJTHK-UHFFFAOYSA-N
XLogP5.60
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.85
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-benzyl-4-chloro-5-phenylthieno[2,3-d]pyrimidine 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 2-benzyl-4-chloro-5-phenylthieno[2,3-d]pyrimidine?
The IUPAC name of 2-benzyl-4-chloro-5-phenylthieno[2,3-d]pyrimidine (CID 12824912) is 2-benzyl-4-chloro-5-phenylthieno[2,3-d]pyrimidine.
What is the SMILES notation for 2-benzyl-4-chloro-5-phenylthieno[2,3-d]pyrimidine?
The canonical SMILES for 2-benzyl-4-chloro-5-phenylthieno[2,3-d]pyrimidine is Clc1nc(Cc2ccccc2)nc2scc(-c3ccccc3)c12.
What is the InChIKey of 2-benzyl-4-chloro-5-phenylthieno[2,3-d]pyrimidine?
The InChIKey is BNDCXJHCZDJTHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClN2S/c20-18-17-15(14-9-5-2-6-10-14)12-23-19(17)22-16(21-18)11-13-7-3-1-4-8-13/h1-10,12H,11H2.
What are the key properties of 2-benzyl-4-chloro-5-phenylthieno[2,3-d]pyrimidine?
2-benzyl-4-chloro-5-phenylthieno[2,3-d]pyrimidine has a molecular weight of 336.85 g/mol, XLogP of 5.60, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-4-chloro-5-phenylthieno[2,3-d]pyrimidine is sourced from PubChem (CID 12824912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).