2-N-cyclopropyl-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4,6-triamine

C9H16N6 — CID 80774808

IUPAC2-N-cyclopropyl-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4,6-triamine
SMILESCN(C)c1nc(N)nc(N(C)C2CC2)n1
InChIInChI=1S/C9H16N6/c1-14(2)8-11-7(10)12-9(13-8)15(3)6-4-5-6/h6H,4-5H2,1-3H3,(H2,10,11,12,13)
InChIKeyKGDFYJFUZZYDPG-UHFFFAOYSA-N
MW208.27 g/mol
LogP0.12
Rot. Bonds3

About 2-N-cyclopropyl-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4,6-triamine

2-N-cyclopropyl-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4,6-triamine (PubChem CID 80774808) has the molecular formula C9H16N6 and a molecular weight of 208.27 g/mol. Its IUPAC name is 2-N-cyclopropyl-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N-cyclopropyl-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4,6-triamine
PubChem CID80774808
Molecular FormulaC9H16N6
Molecular Weight208.27 g/mol
Exact Mass208.14
IUPAC Name2-N-cyclopropyl-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4,6-triamine
SMILESCN(C)c1nc(N)nc(N(C)C2CC2)n1
InChIInChI=1S/C9H16N6/c1-14(2)8-11-7(10)12-9(13-8)15(3)6-4-5-6/h6H,4-5H2,1-3H3,(H2,10,11,12,13)
InChIKeyKGDFYJFUZZYDPG-UHFFFAOYSA-N
XLogP0.12
TPSA71.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.27
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-N-cyclopropyl-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N-cyclopropyl-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4,6-triamine (CID 80774808) is 2-N-cyclopropyl-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N-cyclopropyl-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N-cyclopropyl-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4,6-triamine is CN(C)c1nc(N)nc(N(C)C2CC2)n1.
What is the InChIKey of 2-N-cyclopropyl-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4,6-triamine?
The InChIKey is KGDFYJFUZZYDPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N6/c1-14(2)8-11-7(10)12-9(13-8)15(3)6-4-5-6/h6H,4-5H2,1-3H3,(H2,10,11,12,13).
What are the key properties of 2-N-cyclopropyl-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4,6-triamine?
2-N-cyclopropyl-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4,6-triamine has a molecular weight of 208.27 g/mol, XLogP of 0.12, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-cyclopropyl-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 80774808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).