5-methyl-2-N-(oxolan-3-ylmethyl)pyridine-2,4-diamine

C11H17N3O — CID 83265537

IUPAC5-methyl-2-N-(oxolan-3-ylmethyl)pyridine-2,4-diamine
SMILESCc1cnc(NCC2CCOC2)cc1N
InChIInChI=1S/C11H17N3O/c1-8-5-13-11(4-10(8)12)14-6-9-2-3-15-7-9/h4-5,9H,2-3,6-7H2,1H3,(H3,12,13,14)
InChIKeyHRJIVACHQJYJAW-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.42
Rot. Bonds3

About 5-methyl-2-N-(oxolan-3-ylmethyl)pyridine-2,4-diamine

5-methyl-2-N-(oxolan-3-ylmethyl)pyridine-2,4-diamine (PubChem CID 83265537) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 5-methyl-2-N-(oxolan-3-ylmethyl)pyridine-2,4-diamine.

Molecular Properties

Compound Name5-methyl-2-N-(oxolan-3-ylmethyl)pyridine-2,4-diamine
PubChem CID83265537
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name5-methyl-2-N-(oxolan-3-ylmethyl)pyridine-2,4-diamine
SMILESCc1cnc(NCC2CCOC2)cc1N
InChIInChI=1S/C11H17N3O/c1-8-5-13-11(4-10(8)12)14-6-9-2-3-15-7-9/h4-5,9H,2-3,6-7H2,1H3,(H3,12,13,14)
InChIKeyHRJIVACHQJYJAW-UHFFFAOYSA-N
XLogP1.42
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.42
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-(oxolan-3-ylmethyl)pyridine-2,4-diamine?
The IUPAC name of 5-methyl-2-N-(oxolan-3-ylmethyl)pyridine-2,4-diamine (CID 83265537) is 5-methyl-2-N-(oxolan-3-ylmethyl)pyridine-2,4-diamine.
What is the SMILES notation for 5-methyl-2-N-(oxolan-3-ylmethyl)pyridine-2,4-diamine?
The canonical SMILES for 5-methyl-2-N-(oxolan-3-ylmethyl)pyridine-2,4-diamine is Cc1cnc(NCC2CCOC2)cc1N.
What is the InChIKey of 5-methyl-2-N-(oxolan-3-ylmethyl)pyridine-2,4-diamine?
The InChIKey is HRJIVACHQJYJAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-8-5-13-11(4-10(8)12)14-6-9-2-3-15-7-9/h4-5,9H,2-3,6-7H2,1H3,(H3,12,13,14).
What are the key properties of 5-methyl-2-N-(oxolan-3-ylmethyl)pyridine-2,4-diamine?
5-methyl-2-N-(oxolan-3-ylmethyl)pyridine-2,4-diamine has a molecular weight of 207.28 g/mol, XLogP of 1.42, 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-(oxolan-3-ylmethyl)pyridine-2,4-diamine is sourced from PubChem (CID 83265537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).