6-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazine-2,4-diamine

C11H21N5 — CID 175268075

IUPAC6-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazine-2,4-diamine
SMILESCC(C)(C)CC(C)(C)c1nc(N)nc(N)n1
InChIInChI=1S/C11H21N5/c1-10(2,3)6-11(4,5)7-14-8(12)16-9(13)15-7/h6H2,1-5H3,(H4,12,13,14,15,16)
InChIKeyLQWXVALNVVZGIV-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.75
Rot. Bonds2

About 6-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazine-2,4-diamine

6-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazine-2,4-diamine (PubChem CID 175268075) has the molecular formula C11H21N5 and a molecular weight of 223.32 g/mol. Its IUPAC name is 6-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazine-2,4-diamine
PubChem CID175268075
Molecular FormulaC11H21N5
Molecular Weight223.32 g/mol
Exact Mass223.18
IUPAC Name6-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazine-2,4-diamine
SMILESCC(C)(C)CC(C)(C)c1nc(N)nc(N)n1
InChIInChI=1S/C11H21N5/c1-10(2,3)6-11(4,5)7-14-8(12)16-9(13)15-7/h6H2,1-5H3,(H4,12,13,14,15,16)
InChIKeyLQWXVALNVVZGIV-UHFFFAOYSA-N
XLogP1.75
TPSA90.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-(2,4,4-trimethylpentan-2-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 6-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazine-2,4-diamine (CID 175268075) is 6-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazine-2,4-diamine is CC(C)(C)CC(C)(C)c1nc(N)nc(N)n1.
What is the InChIKey of 6-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazine-2,4-diamine?
The InChIKey is LQWXVALNVVZGIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5/c1-10(2,3)6-11(4,5)7-14-8(12)16-9(13)15-7/h6H2,1-5H3,(H4,12,13,14,15,16).
What are the key properties of 6-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazine-2,4-diamine?
6-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazine-2,4-diamine has a molecular weight of 223.32 g/mol, XLogP of 1.75, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 175268075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).