6-N-(oxan-2-ylmethyl)pyridine-2,3,6-triamine

C11H18N4O — CID 79825613

IUPAC6-N-(oxan-2-ylmethyl)pyridine-2,3,6-triamine
SMILESNc1ccc(NCC2CCCCO2)nc1N
InChIInChI=1S/C11H18N4O/c12-9-4-5-10(15-11(9)13)14-7-8-3-1-2-6-16-8/h4-5,8H,1-3,6-7,12H2,(H3,13,14,15)
InChIKeyUFXGYGFDXFYXKT-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.23
Rot. Bonds3

About 6-N-(oxan-2-ylmethyl)pyridine-2,3,6-triamine

6-N-(oxan-2-ylmethyl)pyridine-2,3,6-triamine (PubChem CID 79825613) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 6-N-(oxan-2-ylmethyl)pyridine-2,3,6-triamine.

Molecular Properties

Compound Name6-N-(oxan-2-ylmethyl)pyridine-2,3,6-triamine
PubChem CID79825613
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name6-N-(oxan-2-ylmethyl)pyridine-2,3,6-triamine
SMILESNc1ccc(NCC2CCCCO2)nc1N
InChIInChI=1S/C11H18N4O/c12-9-4-5-10(15-11(9)13)14-7-8-3-1-2-6-16-8/h4-5,8H,1-3,6-7,12H2,(H3,13,14,15)
InChIKeyUFXGYGFDXFYXKT-UHFFFAOYSA-N
XLogP1.23
TPSA86.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 6-N-(oxan-2-ylmethyl)pyridine-2,3,6-triamine 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

6-N-[2-(oxolan-2-yl)ethyl]pyridine-2,3,6-triamine
CID 79827367
6-methoxy-2-N-(oxolan-2-ylmethyl)pyridine-2,5-diamine
CID 43261205
N-(oxan-2-ylmethyl)-1H-pyrazolo[5,4-b]pyridin-6-amine
CID 166385524
4-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine
CID 80772162
2-N-(oxolan-2-ylmethyl)quinoline-2,6-diamine
CID 43383029
6-(oxan-2-ylmethylamino)pyridazine-3-carboxamide
CID 79099568
6-methoxy-2-N-(oxan-2-ylmethyl)pyridine-2,3-diamine
CID 113286504
6-(oxan-2-ylmethoxy)pyridine-2,3-diamine
CID 79827597
5-bromo-N-[[(2R)-oxolan-2-yl]methyl]pyridin-2-amine
CID 29266636
5-bromo-N-[[(2S)-oxolan-2-yl]methyl]pyridin-2-amine
CID 29266634
6-bromo-N-(oxolan-2-ylmethyl)pyridin-2-amine
CID 63961095
2-cyclopropyl-6-hydrazinyl-N-(oxan-2-ylmethyl)pyrimidin-4-amine
CID 80963825

Frequently Asked Questions

What is the IUPAC name of 6-N-(oxan-2-ylmethyl)pyridine-2,3,6-triamine?
The IUPAC name of 6-N-(oxan-2-ylmethyl)pyridine-2,3,6-triamine (CID 79825613) is 6-N-(oxan-2-ylmethyl)pyridine-2,3,6-triamine.
What is the SMILES notation for 6-N-(oxan-2-ylmethyl)pyridine-2,3,6-triamine?
The canonical SMILES for 6-N-(oxan-2-ylmethyl)pyridine-2,3,6-triamine is Nc1ccc(NCC2CCCCO2)nc1N.
What is the InChIKey of 6-N-(oxan-2-ylmethyl)pyridine-2,3,6-triamine?
The InChIKey is UFXGYGFDXFYXKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c12-9-4-5-10(15-11(9)13)14-7-8-3-1-2-6-16-8/h4-5,8H,1-3,6-7,12H2,(H3,13,14,15).
What are the key properties of 6-N-(oxan-2-ylmethyl)pyridine-2,3,6-triamine?
6-N-(oxan-2-ylmethyl)pyridine-2,3,6-triamine has a molecular weight of 222.29 g/mol, XLogP of 1.23, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(oxan-2-ylmethyl)pyridine-2,3,6-triamine is sourced from PubChem (CID 79825613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).