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

C9H16N6 — CID 80770376

IUPAC2-N-ethyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(N)nc(N2CCCC2)n1
InChIInChI=1S/C9H16N6/c1-2-11-8-12-7(10)13-9(14-8)15-5-3-4-6-15/h2-6H2,1H3,(H3,10,11,12,13,14)
InChIKeyBGLWWQOFYJPVCN-UHFFFAOYSA-N
MW208.27 g/mol
LogP0.49
Rot. Bonds3

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

2-N-ethyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine (PubChem CID 80770376) has the molecular formula C9H16N6 and a molecular weight of 208.27 g/mol. Its IUPAC name is 2-N-ethyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-ethyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
PubChem CID80770376
Molecular FormulaC9H16N6
Molecular Weight208.27 g/mol
Exact Mass208.14
IUPAC Name2-N-ethyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(N)nc(N2CCCC2)n1
InChIInChI=1S/C9H16N6/c1-2-11-8-12-7(10)13-9(14-8)15-5-3-4-6-15/h2-6H2,1H3,(H3,10,11,12,13,14)
InChIKeyBGLWWQOFYJPVCN-UHFFFAOYSA-N
XLogP0.49
TPSA79.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.27
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-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

Related Compounds

N-ethyl-4-hydrazinyl-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 80932196
2-N-(2-methylpropyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80769665
2-N-[4-[(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]butyl]-1,3,5-triazine-2,4,6-triamine
CID 139460803
2-N-[2-(dimethylamino)propyl]-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80819399
2-N-(3-methylbutyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80784864
2-N-(2,2-dimethylpropyl)-4-N-ethyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80775565
2-N-(2-methylsulfonylethyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80791674
2-N-[2-(dimethylamino)ethyl]-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80769992
2-N-(2-methoxy-2-methylpropyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 104767252
2-N-[2-(dimethylamino)-2-methylpropyl]-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80812452
4-N-ethyl-2-N-(2-methylpropyl)-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80770163
4-ethoxy-N-ethyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 80767228

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-ethyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine (CID 80770376) is 2-N-ethyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-ethyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-ethyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine is CCNc1nc(N)nc(N2CCCC2)n1.
What is the InChIKey of 2-N-ethyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine?
The InChIKey is BGLWWQOFYJPVCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N6/c1-2-11-8-12-7(10)13-9(14-8)15-5-3-4-6-15/h2-6H2,1H3,(H3,10,11,12,13,14).
What are the key properties of 2-N-ethyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine?
2-N-ethyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine has a molecular weight of 208.27 g/mol, XLogP of 0.49, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80770376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).