N-benzyl-2-(2-methylpropyl)thieno[3,2-d]pyrimidin-4-amine

C17H19N3S — CID 10827879

IUPACN-benzyl-2-(2-methylpropyl)thieno[3,2-d]pyrimidin-4-amine
SMILESCC(C)Cc1nc(NCc2ccccc2)c2sccc2n1
InChIInChI=1S/C17H19N3S/c1-12(2)10-15-19-14-8-9-21-16(14)17(20-15)18-11-13-6-4-3-5-7-13/h3-9,12H,10-11H2,1-2H3,(H,18,19,20)
InChIKeyVIKCKGGIIODBFN-UHFFFAOYSA-N
MW297.43 g/mol
LogP4.50
Rot. Bonds5

About N-benzyl-2-(2-methylpropyl)thieno[3,2-d]pyrimidin-4-amine

N-benzyl-2-(2-methylpropyl)thieno[3,2-d]pyrimidin-4-amine (PubChem CID 10827879) has the molecular formula C17H19N3S and a molecular weight of 297.43 g/mol. Its IUPAC name is N-benzyl-2-(2-methylpropyl)thieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-benzyl-2-(2-methylpropyl)thieno[3,2-d]pyrimidin-4-amine
PubChem CID10827879
Molecular FormulaC17H19N3S
Molecular Weight297.43 g/mol
Exact Mass297.13
IUPAC NameN-benzyl-2-(2-methylpropyl)thieno[3,2-d]pyrimidin-4-amine
SMILESCC(C)Cc1nc(NCc2ccccc2)c2sccc2n1
InChIInChI=1S/C17H19N3S/c1-12(2)10-15-19-14-8-9-21-16(14)17(20-15)18-11-13-6-4-3-5-7-13/h3-9,12H,10-11H2,1-2H3,(H,18,19,20)
InChIKeyVIKCKGGIIODBFN-UHFFFAOYSA-N
XLogP4.50
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.43
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-benzyl-2-(2-methylpropyl)thieno[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-(2-methylpropyl)thieno[3,2-d]pyrimidin-4-amine?
The IUPAC name of N-benzyl-2-(2-methylpropyl)thieno[3,2-d]pyrimidin-4-amine (CID 10827879) is N-benzyl-2-(2-methylpropyl)thieno[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for N-benzyl-2-(2-methylpropyl)thieno[3,2-d]pyrimidin-4-amine?
The canonical SMILES for N-benzyl-2-(2-methylpropyl)thieno[3,2-d]pyrimidin-4-amine is CC(C)Cc1nc(NCc2ccccc2)c2sccc2n1.
What is the InChIKey of N-benzyl-2-(2-methylpropyl)thieno[3,2-d]pyrimidin-4-amine?
The InChIKey is VIKCKGGIIODBFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3S/c1-12(2)10-15-19-14-8-9-21-16(14)17(20-15)18-11-13-6-4-3-5-7-13/h3-9,12H,10-11H2,1-2H3,(H,18,19,20).
What are the key properties of N-benzyl-2-(2-methylpropyl)thieno[3,2-d]pyrimidin-4-amine?
N-benzyl-2-(2-methylpropyl)thieno[3,2-d]pyrimidin-4-amine has a molecular weight of 297.43 g/mol, XLogP of 4.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(2-methylpropyl)thieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 10827879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).