5-methyl-2-N-(oxan-4-ylmethyl)pyridine-2,4-diamine

C12H19N3O — CID 83265643

IUPAC5-methyl-2-N-(oxan-4-ylmethyl)pyridine-2,4-diamine
SMILESCc1cnc(NCC2CCOCC2)cc1N
InChIInChI=1S/C12H19N3O/c1-9-7-14-12(6-11(9)13)15-8-10-2-4-16-5-3-10/h6-7,10H,2-5,8H2,1H3,(H3,13,14,15)
InChIKeyYOXIUVKOZVBSNS-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.81
Rot. Bonds3

About 5-methyl-2-N-(oxan-4-ylmethyl)pyridine-2,4-diamine

5-methyl-2-N-(oxan-4-ylmethyl)pyridine-2,4-diamine (PubChem CID 83265643) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 5-methyl-2-N-(oxan-4-ylmethyl)pyridine-2,4-diamine.

Molecular Properties

Compound Name5-methyl-2-N-(oxan-4-ylmethyl)pyridine-2,4-diamine
PubChem CID83265643
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name5-methyl-2-N-(oxan-4-ylmethyl)pyridine-2,4-diamine
SMILESCc1cnc(NCC2CCOCC2)cc1N
InChIInChI=1S/C12H19N3O/c1-9-7-14-12(6-11(9)13)15-8-10-2-4-16-5-3-10/h6-7,10H,2-5,8H2,1H3,(H3,13,14,15)
InChIKeyYOXIUVKOZVBSNS-UHFFFAOYSA-N
XLogP1.81
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-N-(oxan-4-ylmethyl)pyridine-2,4-diamine?
The IUPAC name of 5-methyl-2-N-(oxan-4-ylmethyl)pyridine-2,4-diamine (CID 83265643) is 5-methyl-2-N-(oxan-4-ylmethyl)pyridine-2,4-diamine.
What is the SMILES notation for 5-methyl-2-N-(oxan-4-ylmethyl)pyridine-2,4-diamine?
The canonical SMILES for 5-methyl-2-N-(oxan-4-ylmethyl)pyridine-2,4-diamine is Cc1cnc(NCC2CCOCC2)cc1N.
What is the InChIKey of 5-methyl-2-N-(oxan-4-ylmethyl)pyridine-2,4-diamine?
The InChIKey is YOXIUVKOZVBSNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-9-7-14-12(6-11(9)13)15-8-10-2-4-16-5-3-10/h6-7,10H,2-5,8H2,1H3,(H3,13,14,15).
What are the key properties of 5-methyl-2-N-(oxan-4-ylmethyl)pyridine-2,4-diamine?
5-methyl-2-N-(oxan-4-ylmethyl)pyridine-2,4-diamine has a molecular weight of 221.30 g/mol, XLogP of 1.81, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-N-(oxan-4-ylmethyl)pyridine-2,4-diamine is sourced from PubChem (CID 83265643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).