N-benzyl-2-pyridin-3-ylthieno[3,2-d]pyrimidin-4-amine

C18H14N4S — CID 10687037

IUPACN-benzyl-2-pyridin-3-ylthieno[3,2-d]pyrimidin-4-amine
SMILESc1ccc(CNc2nc(-c3cccnc3)nc3ccsc23)cc1
InChIInChI=1S/C18H14N4S/c1-2-5-13(6-3-1)11-20-18-16-15(8-10-23-16)21-17(22-18)14-7-4-9-19-12-14/h1-10,12H,11H2,(H,20,21,22)
InChIKeyNJWDCPYULRMOJI-UHFFFAOYSA-N
MW318.41 g/mol
LogP4.37
Rot. Bonds4

About N-benzyl-2-pyridin-3-ylthieno[3,2-d]pyrimidin-4-amine

N-benzyl-2-pyridin-3-ylthieno[3,2-d]pyrimidin-4-amine (PubChem CID 10687037) has the molecular formula C18H14N4S and a molecular weight of 318.41 g/mol. Its IUPAC name is N-benzyl-2-pyridin-3-ylthieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-benzyl-2-pyridin-3-ylthieno[3,2-d]pyrimidin-4-amine
PubChem CID10687037
Molecular FormulaC18H14N4S
Molecular Weight318.41 g/mol
Exact Mass318.09
IUPAC NameN-benzyl-2-pyridin-3-ylthieno[3,2-d]pyrimidin-4-amine
SMILESc1ccc(CNc2nc(-c3cccnc3)nc3ccsc23)cc1
InChIInChI=1S/C18H14N4S/c1-2-5-13(6-3-1)11-20-18-16-15(8-10-23-16)21-17(22-18)14-7-4-9-19-12-14/h1-10,12H,11H2,(H,20,21,22)
InChIKeyNJWDCPYULRMOJI-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 N-benzyl-2-pyridin-3-ylthieno[3,2-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 N-benzyl-2-pyridin-3-ylthieno[3,2-d]pyrimidin-4-amine?
The IUPAC name of N-benzyl-2-pyridin-3-ylthieno[3,2-d]pyrimidin-4-amine (CID 10687037) is N-benzyl-2-pyridin-3-ylthieno[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for N-benzyl-2-pyridin-3-ylthieno[3,2-d]pyrimidin-4-amine?
The canonical SMILES for N-benzyl-2-pyridin-3-ylthieno[3,2-d]pyrimidin-4-amine is c1ccc(CNc2nc(-c3cccnc3)nc3ccsc23)cc1.
What is the InChIKey of N-benzyl-2-pyridin-3-ylthieno[3,2-d]pyrimidin-4-amine?
The InChIKey is NJWDCPYULRMOJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4S/c1-2-5-13(6-3-1)11-20-18-16-15(8-10-23-16)21-17(22-18)14-7-4-9-19-12-14/h1-10,12H,11H2,(H,20,21,22).
What are the key properties of N-benzyl-2-pyridin-3-ylthieno[3,2-d]pyrimidin-4-amine?
N-benzyl-2-pyridin-3-ylthieno[3,2-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 N-benzyl-2-pyridin-3-ylthieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 10687037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).