2-N-(oxolan-3-yl)pyridine-2,4-diamine

C9H13N3O — CID 80717438

IUPAC2-N-(oxolan-3-yl)pyridine-2,4-diamine
SMILESNc1ccnc(NC2CCOC2)c1
InChIInChI=1S/C9H13N3O/c10-7-1-3-11-9(5-7)12-8-2-4-13-6-8/h1,3,5,8H,2,4,6H2,(H3,10,11,12)
InChIKeyOSXGQWYNYDJFQP-UHFFFAOYSA-N
MW179.22 g/mol
LogP0.86
Rot. Bonds2

About 2-N-(oxolan-3-yl)pyridine-2,4-diamine

2-N-(oxolan-3-yl)pyridine-2,4-diamine (PubChem CID 80717438) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is 2-N-(oxolan-3-yl)pyridine-2,4-diamine.

Molecular Properties

Compound Name2-N-(oxolan-3-yl)pyridine-2,4-diamine
PubChem CID80717438
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name2-N-(oxolan-3-yl)pyridine-2,4-diamine
SMILESNc1ccnc(NC2CCOC2)c1
InChIInChI=1S/C9H13N3O/c10-7-1-3-11-9(5-7)12-8-2-4-13-6-8/h1,3,5,8H,2,4,6H2,(H3,10,11,12)
InChIKeyOSXGQWYNYDJFQP-UHFFFAOYSA-N
XLogP0.86
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-N-(oxolan-3-yl)pyridine-2,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-N-(oxolan-3-yl)pyridine-2,4-diamine?
The IUPAC name of 2-N-(oxolan-3-yl)pyridine-2,4-diamine (CID 80717438) is 2-N-(oxolan-3-yl)pyridine-2,4-diamine.
What is the SMILES notation for 2-N-(oxolan-3-yl)pyridine-2,4-diamine?
The canonical SMILES for 2-N-(oxolan-3-yl)pyridine-2,4-diamine is Nc1ccnc(NC2CCOC2)c1.
What is the InChIKey of 2-N-(oxolan-3-yl)pyridine-2,4-diamine?
The InChIKey is OSXGQWYNYDJFQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c10-7-1-3-11-9(5-7)12-8-2-4-13-6-8/h1,3,5,8H,2,4,6H2,(H3,10,11,12).
What are the key properties of 2-N-(oxolan-3-yl)pyridine-2,4-diamine?
2-N-(oxolan-3-yl)pyridine-2,4-diamine has a molecular weight of 179.22 g/mol, XLogP of 0.86, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(oxolan-3-yl)pyridine-2,4-diamine is sourced from PubChem (CID 80717438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).