5-N-(oxolan-3-yl)pyridine-2,5-diamine

C9H13N3O — CID 80717069

IUPAC5-N-(oxolan-3-yl)pyridine-2,5-diamine
SMILESNc1ccc(NC2CCOC2)cn1
InChIInChI=1S/C9H13N3O/c10-9-2-1-7(5-11-9)12-8-3-4-13-6-8/h1-2,5,8,12H,3-4,6H2,(H2,10,11)
InChIKeyUUZLULWIXGAEGX-UHFFFAOYSA-N
MW179.22 g/mol
LogP0.86
Rot. Bonds2

About 5-N-(oxolan-3-yl)pyridine-2,5-diamine

5-N-(oxolan-3-yl)pyridine-2,5-diamine (PubChem CID 80717069) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is 5-N-(oxolan-3-yl)pyridine-2,5-diamine.

Molecular Properties

Compound Name5-N-(oxolan-3-yl)pyridine-2,5-diamine
PubChem CID80717069
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name5-N-(oxolan-3-yl)pyridine-2,5-diamine
SMILESNc1ccc(NC2CCOC2)cn1
InChIInChI=1S/C9H13N3O/c10-9-2-1-7(5-11-9)12-8-3-4-13-6-8/h1-2,5,8,12H,3-4,6H2,(H2,10,11)
InChIKeyUUZLULWIXGAEGX-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

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Related Compounds

N-(oxolan-3-yl)pyridin-3-amine
CID 63331715
N-(oxolan-3-yl)pyrimidin-5-amine
CID 83480544
2-N-(oxolan-3-yl)pyrazine-2,6-diamine
CID 80714757
4-(oxolan-3-ylamino)benzenecarbothioamide
CID 80714281
N-(6-amino-3-pyridinyl)oxane-4-sulfonamide
CID 62047735
3-(oxolan-3-ylamino)quinolin-6-ol
CID 89443563
N-(oxan-3-yl)-6-(2-trimethylsilylethynyl)pyridin-3-amine
CID 177212490
N-(6-amino-3-pyridinyl)oxane-4-carboxamide;hydrochloride
CID 119514919
4-N-(oxolan-3-yl)pyridine-3,4-diamine
CID 80717720
6-bromo-N-(oxepan-4-yl)pyridin-3-amine
CID 104718841
2-N-(oxolan-3-yl)pyridine-2,4-diamine
CID 80717438
2-chloro-N-(oxolan-3-yl)pyridin-4-amine
CID 115486637

Frequently Asked Questions

What is the IUPAC name of 5-N-(oxolan-3-yl)pyridine-2,5-diamine?
The IUPAC name of 5-N-(oxolan-3-yl)pyridine-2,5-diamine (CID 80717069) is 5-N-(oxolan-3-yl)pyridine-2,5-diamine.
What is the SMILES notation for 5-N-(oxolan-3-yl)pyridine-2,5-diamine?
The canonical SMILES for 5-N-(oxolan-3-yl)pyridine-2,5-diamine is Nc1ccc(NC2CCOC2)cn1.
What is the InChIKey of 5-N-(oxolan-3-yl)pyridine-2,5-diamine?
The InChIKey is UUZLULWIXGAEGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c10-9-2-1-7(5-11-9)12-8-3-4-13-6-8/h1-2,5,8,12H,3-4,6H2,(H2,10,11).
What are the key properties of 5-N-(oxolan-3-yl)pyridine-2,5-diamine?
5-N-(oxolan-3-yl)pyridine-2,5-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 5-N-(oxolan-3-yl)pyridine-2,5-diamine is sourced from PubChem (CID 80717069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).