6-benzyl-2-phenylthieno[2,3-d]pyrimidin-4-amine

C19H15N3S — CID 45275058

IUPAC6-benzyl-2-phenylthieno[2,3-d]pyrimidin-4-amine
SMILESNc1nc(-c2ccccc2)nc2sc(Cc3ccccc3)cc12
InChIInChI=1S/C19H15N3S/c20-17-16-12-15(11-13-7-3-1-4-8-13)23-19(16)22-18(21-17)14-9-5-2-6-10-14/h1-10,12H,11H2,(H2,20,21,22)
InChIKeyYCJUYKBUDGJHNY-UHFFFAOYSA-N
MW317.42 g/mol
LogP4.53
Rot. Bonds3

About 6-benzyl-2-phenylthieno[2,3-d]pyrimidin-4-amine

6-benzyl-2-phenylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 45275058) has the molecular formula C19H15N3S and a molecular weight of 317.42 g/mol. Its IUPAC name is 6-benzyl-2-phenylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-benzyl-2-phenylthieno[2,3-d]pyrimidin-4-amine
PubChem CID45275058
Molecular FormulaC19H15N3S
Molecular Weight317.42 g/mol
Exact Mass317.10
IUPAC Name6-benzyl-2-phenylthieno[2,3-d]pyrimidin-4-amine
SMILESNc1nc(-c2ccccc2)nc2sc(Cc3ccccc3)cc12
InChIInChI=1S/C19H15N3S/c20-17-16-12-15(11-13-7-3-1-4-8-13)23-19(16)22-18(21-17)14-9-5-2-6-10-14/h1-10,12H,11H2,(H2,20,21,22)
InChIKeyYCJUYKBUDGJHNY-UHFFFAOYSA-N
XLogP4.53
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.42
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-benzyl-2-phenylthieno[2,3-d]pyrimidin-4-amine 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 6-benzyl-2-phenylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 6-benzyl-2-phenylthieno[2,3-d]pyrimidin-4-amine (CID 45275058) is 6-benzyl-2-phenylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 6-benzyl-2-phenylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 6-benzyl-2-phenylthieno[2,3-d]pyrimidin-4-amine is Nc1nc(-c2ccccc2)nc2sc(Cc3ccccc3)cc12.
What is the InChIKey of 6-benzyl-2-phenylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is YCJUYKBUDGJHNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3S/c20-17-16-12-15(11-13-7-3-1-4-8-13)23-19(16)22-18(21-17)14-9-5-2-6-10-14/h1-10,12H,11H2,(H2,20,21,22).
What are the key properties of 6-benzyl-2-phenylthieno[2,3-d]pyrimidin-4-amine?
6-benzyl-2-phenylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 317.42 g/mol, XLogP of 4.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-2-phenylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 45275058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).