6-methoxy-2-N-(oxolan-3-ylmethyl)pyridine-2,5-diamine

C11H17N3O2 — CID 62824708

IUPAC6-methoxy-2-N-(oxolan-3-ylmethyl)pyridine-2,5-diamine
SMILESCOc1nc(NCC2CCOC2)ccc1N
InChIInChI=1S/C11H17N3O2/c1-15-11-9(12)2-3-10(14-11)13-6-8-4-5-16-7-8/h2-3,8H,4-7,12H2,1H3,(H,13,14)
InChIKeyBQIWYCDXUFYNPC-UHFFFAOYSA-N
MW223.28 g/mol
LogP1.12
Rot. Bonds4

About 6-methoxy-2-N-(oxolan-3-ylmethyl)pyridine-2,5-diamine

6-methoxy-2-N-(oxolan-3-ylmethyl)pyridine-2,5-diamine (PubChem CID 62824708) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 6-methoxy-2-N-(oxolan-3-ylmethyl)pyridine-2,5-diamine.

Molecular Properties

Compound Name6-methoxy-2-N-(oxolan-3-ylmethyl)pyridine-2,5-diamine
PubChem CID62824708
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name6-methoxy-2-N-(oxolan-3-ylmethyl)pyridine-2,5-diamine
SMILESCOc1nc(NCC2CCOC2)ccc1N
InChIInChI=1S/C11H17N3O2/c1-15-11-9(12)2-3-10(14-11)13-6-8-4-5-16-7-8/h2-3,8H,4-7,12H2,1H3,(H,13,14)
InChIKeyBQIWYCDXUFYNPC-UHFFFAOYSA-N
XLogP1.12
TPSA69.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-N-(oxolan-3-ylmethyl)pyridine-2,5-diamine?
The IUPAC name of 6-methoxy-2-N-(oxolan-3-ylmethyl)pyridine-2,5-diamine (CID 62824708) is 6-methoxy-2-N-(oxolan-3-ylmethyl)pyridine-2,5-diamine.
What is the SMILES notation for 6-methoxy-2-N-(oxolan-3-ylmethyl)pyridine-2,5-diamine?
The canonical SMILES for 6-methoxy-2-N-(oxolan-3-ylmethyl)pyridine-2,5-diamine is COc1nc(NCC2CCOC2)ccc1N.
What is the InChIKey of 6-methoxy-2-N-(oxolan-3-ylmethyl)pyridine-2,5-diamine?
The InChIKey is BQIWYCDXUFYNPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-15-11-9(12)2-3-10(14-11)13-6-8-4-5-16-7-8/h2-3,8H,4-7,12H2,1H3,(H,13,14).
What are the key properties of 6-methoxy-2-N-(oxolan-3-ylmethyl)pyridine-2,5-diamine?
6-methoxy-2-N-(oxolan-3-ylmethyl)pyridine-2,5-diamine has a molecular weight of 223.28 g/mol, XLogP of 1.12, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-N-(oxolan-3-ylmethyl)pyridine-2,5-diamine is sourced from PubChem (CID 62824708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).