5-phenyl-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine

C18H14N4S — CID 2796183

IUPAC5-phenyl-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESc1ccc(-c2csc3ncnc(NCc4ccccn4)c23)cc1
InChIInChI=1S/C18H14N4S/c1-2-6-13(7-3-1)15-11-23-18-16(15)17(21-12-22-18)20-10-14-8-4-5-9-19-14/h1-9,11-12H,10H2,(H,20,21,22)
InChIKeyCBJBZIZSNJVHIQ-UHFFFAOYSA-N
MW318.41 g/mol
LogP4.37
Rot. Bonds4

About 5-phenyl-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine

5-phenyl-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 2796183) has the molecular formula C18H14N4S and a molecular weight of 318.41 g/mol. Its IUPAC name is 5-phenyl-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5-phenyl-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID2796183
Molecular FormulaC18H14N4S
Molecular Weight318.41 g/mol
Exact Mass318.09
IUPAC Name5-phenyl-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESc1ccc(-c2csc3ncnc(NCc4ccccn4)c23)cc1
InChIInChI=1S/C18H14N4S/c1-2-6-13(7-3-1)15-11-23-18-16(15)17(21-12-22-18)20-10-14-8-4-5-9-19-14/h1-9,11-12H,10H2,(H,20,21,22)
InChIKeyCBJBZIZSNJVHIQ-UHFFFAOYSA-N
XLogP4.37
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.41
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-phenyl-N-(pyridin-2-ylmethyl)thieno[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 5-phenyl-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5-phenyl-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine (CID 2796183) is 5-phenyl-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5-phenyl-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5-phenyl-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine is c1ccc(-c2csc3ncnc(NCc4ccccn4)c23)cc1.
What is the InChIKey of 5-phenyl-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is CBJBZIZSNJVHIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4S/c1-2-6-13(7-3-1)15-11-23-18-16(15)17(21-12-22-18)20-10-14-8-4-5-9-19-14/h1-9,11-12H,10H2,(H,20,21,22).
What are the key properties of 5-phenyl-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
5-phenyl-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 318.41 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 2796183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).