5-benzyl-4-naphthalen-1-yl-6-thiophen-2-ylpyrimidin-2-amine

C25H19N3S — CID 139449765

IUPAC5-benzyl-4-naphthalen-1-yl-6-thiophen-2-ylpyrimidin-2-amine
SMILESNc1nc(-c2cccs2)c(Cc2ccccc2)c(-c2cccc3ccccc23)n1
InChIInChI=1S/C25H19N3S/c26-25-27-23(20-13-6-11-18-10-4-5-12-19(18)20)21(16-17-8-2-1-3-9-17)24(28-25)22-14-7-15-29-22/h1-15H,16H2,(H2,26,27,28)
InChIKeyVCUVUVZDEODYNC-UHFFFAOYSA-N
MW393.52 g/mol
LogP6.20
Rot. Bonds4

About 5-benzyl-4-naphthalen-1-yl-6-thiophen-2-ylpyrimidin-2-amine

5-benzyl-4-naphthalen-1-yl-6-thiophen-2-ylpyrimidin-2-amine (PubChem CID 139449765) has the molecular formula C25H19N3S and a molecular weight of 393.52 g/mol. Its IUPAC name is 5-benzyl-4-naphthalen-1-yl-6-thiophen-2-ylpyrimidin-2-amine.

Molecular Properties

Compound Name5-benzyl-4-naphthalen-1-yl-6-thiophen-2-ylpyrimidin-2-amine
PubChem CID139449765
Molecular FormulaC25H19N3S
Molecular Weight393.52 g/mol
Exact Mass393.13
IUPAC Name5-benzyl-4-naphthalen-1-yl-6-thiophen-2-ylpyrimidin-2-amine
SMILESNc1nc(-c2cccs2)c(Cc2ccccc2)c(-c2cccc3ccccc23)n1
InChIInChI=1S/C25H19N3S/c26-25-27-23(20-13-6-11-18-10-4-5-12-19(18)20)21(16-17-8-2-1-3-9-17)24(28-25)22-14-7-15-29-22/h1-15H,16H2,(H2,26,27,28)
InChIKeyVCUVUVZDEODYNC-UHFFFAOYSA-N
XLogP6.20
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.52
LogP ≤ 56.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-benzyl-4-naphthalen-1-yl-6-thiophen-2-ylpyrimidin-2-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-benzyl-4-naphthalen-1-yl-6-thiophen-2-ylpyrimidin-2-amine?
The IUPAC name of 5-benzyl-4-naphthalen-1-yl-6-thiophen-2-ylpyrimidin-2-amine (CID 139449765) is 5-benzyl-4-naphthalen-1-yl-6-thiophen-2-ylpyrimidin-2-amine.
What is the SMILES notation for 5-benzyl-4-naphthalen-1-yl-6-thiophen-2-ylpyrimidin-2-amine?
The canonical SMILES for 5-benzyl-4-naphthalen-1-yl-6-thiophen-2-ylpyrimidin-2-amine is Nc1nc(-c2cccs2)c(Cc2ccccc2)c(-c2cccc3ccccc23)n1.
What is the InChIKey of 5-benzyl-4-naphthalen-1-yl-6-thiophen-2-ylpyrimidin-2-amine?
The InChIKey is VCUVUVZDEODYNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N3S/c26-25-27-23(20-13-6-11-18-10-4-5-12-19(18)20)21(16-17-8-2-1-3-9-17)24(28-25)22-14-7-15-29-22/h1-15H,16H2,(H2,26,27,28).
What are the key properties of 5-benzyl-4-naphthalen-1-yl-6-thiophen-2-ylpyrimidin-2-amine?
5-benzyl-4-naphthalen-1-yl-6-thiophen-2-ylpyrimidin-2-amine has a molecular weight of 393.52 g/mol, XLogP of 6.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-4-naphthalen-1-yl-6-thiophen-2-ylpyrimidin-2-amine is sourced from PubChem (CID 139449765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).