2-N-tert-butyl-4-N-ethyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine

C13H24N6 — CID 1096075

IUPAC2-N-tert-butyl-4-N-ethyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(NC(C)(C)C)nc(N2CCCC2)n1
InChIInChI=1S/C13H24N6/c1-5-14-10-15-11(18-13(2,3)4)17-12(16-10)19-8-6-7-9-19/h5-9H2,1-4H3,(H2,14,15,16,17,18)
InChIKeyWKBXGDZIAHZGNG-UHFFFAOYSA-N
MW264.38 g/mol
LogP2.11
Rot. Bonds4

About 2-N-tert-butyl-4-N-ethyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine

2-N-tert-butyl-4-N-ethyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine (PubChem CID 1096075) has the molecular formula C13H24N6 and a molecular weight of 264.38 g/mol. Its IUPAC name is 2-N-tert-butyl-4-N-ethyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-tert-butyl-4-N-ethyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
PubChem CID1096075
Molecular FormulaC13H24N6
Molecular Weight264.38 g/mol
Exact Mass264.21
IUPAC Name2-N-tert-butyl-4-N-ethyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(NC(C)(C)C)nc(N2CCCC2)n1
InChIInChI=1S/C13H24N6/c1-5-14-10-15-11(18-13(2,3)4)17-12(16-10)19-8-6-7-9-19/h5-9H2,1-4H3,(H2,14,15,16,17,18)
InChIKeyWKBXGDZIAHZGNG-UHFFFAOYSA-N
XLogP2.11
TPSA65.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.38
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-N-tert-butyl-4-N-ethyl-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-tert-butyl-4-N-ethyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-tert-butyl-4-N-ethyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine (CID 1096075) is 2-N-tert-butyl-4-N-ethyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-tert-butyl-4-N-ethyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-tert-butyl-4-N-ethyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine is CCNc1nc(NC(C)(C)C)nc(N2CCCC2)n1.
What is the InChIKey of 2-N-tert-butyl-4-N-ethyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine?
The InChIKey is WKBXGDZIAHZGNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N6/c1-5-14-10-15-11(18-13(2,3)4)17-12(16-10)19-8-6-7-9-19/h5-9H2,1-4H3,(H2,14,15,16,17,18).
What are the key properties of 2-N-tert-butyl-4-N-ethyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine?
2-N-tert-butyl-4-N-ethyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine has a molecular weight of 264.38 g/mol, XLogP of 2.11, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-tert-butyl-4-N-ethyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 1096075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).