2-N-benzyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine

C14H18N6 — CID 15396851

IUPAC2-N-benzyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
SMILESNc1nc(NCc2ccccc2)nc(N2CCCC2)n1
InChIInChI=1S/C14H18N6/c15-12-17-13(16-10-11-6-2-1-3-7-11)19-14(18-12)20-8-4-5-9-20/h1-3,6-7H,4-5,8-10H2,(H3,15,16,17,18,19)
InChIKeyQBFBOEORYQMIKI-UHFFFAOYSA-N
MW270.34 g/mol
LogP1.67
Rot. Bonds4

About 2-N-benzyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine

2-N-benzyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine (PubChem CID 15396851) has the molecular formula C14H18N6 and a molecular weight of 270.34 g/mol. Its IUPAC name is 2-N-benzyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-benzyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
PubChem CID15396851
Molecular FormulaC14H18N6
Molecular Weight270.34 g/mol
Exact Mass270.16
IUPAC Name2-N-benzyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
SMILESNc1nc(NCc2ccccc2)nc(N2CCCC2)n1
InChIInChI=1S/C14H18N6/c15-12-17-13(16-10-11-6-2-1-3-7-11)19-14(18-12)20-8-4-5-9-20/h1-3,6-7H,4-5,8-10H2,(H3,15,16,17,18,19)
InChIKeyQBFBOEORYQMIKI-UHFFFAOYSA-N
XLogP1.67
TPSA79.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-N-benzyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine 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 2-N-benzyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-benzyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine (CID 15396851) is 2-N-benzyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-benzyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-benzyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine is Nc1nc(NCc2ccccc2)nc(N2CCCC2)n1.
What is the InChIKey of 2-N-benzyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine?
The InChIKey is QBFBOEORYQMIKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6/c15-12-17-13(16-10-11-6-2-1-3-7-11)19-14(18-12)20-8-4-5-9-20/h1-3,6-7H,4-5,8-10H2,(H3,15,16,17,18,19).
What are the key properties of 2-N-benzyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine?
2-N-benzyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine has a molecular weight of 270.34 g/mol, XLogP of 1.67, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-benzyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 15396851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).