2-N-(oxan-3-yl)-6-propan-2-yloxypyridine-2,5-diamine

C13H21N3O2 — CID 63359972

IUPAC2-N-(oxan-3-yl)-6-propan-2-yloxypyridine-2,5-diamine
SMILESCC(C)Oc1nc(NC2CCCOC2)ccc1N
InChIInChI=1S/C13H21N3O2/c1-9(2)18-13-11(14)5-6-12(16-13)15-10-4-3-7-17-8-10/h5-6,9-10H,3-4,7-8,14H2,1-2H3,(H,15,16)
InChIKeyBQGOJYBBJHPQIQ-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.04
Rot. Bonds4

About 2-N-(oxan-3-yl)-6-propan-2-yloxypyridine-2,5-diamine

2-N-(oxan-3-yl)-6-propan-2-yloxypyridine-2,5-diamine (PubChem CID 63359972) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-N-(oxan-3-yl)-6-propan-2-yloxypyridine-2,5-diamine.

Molecular Properties

Compound Name2-N-(oxan-3-yl)-6-propan-2-yloxypyridine-2,5-diamine
PubChem CID63359972
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name2-N-(oxan-3-yl)-6-propan-2-yloxypyridine-2,5-diamine
SMILESCC(C)Oc1nc(NC2CCCOC2)ccc1N
InChIInChI=1S/C13H21N3O2/c1-9(2)18-13-11(14)5-6-12(16-13)15-10-4-3-7-17-8-10/h5-6,9-10H,3-4,7-8,14H2,1-2H3,(H,15,16)
InChIKeyBQGOJYBBJHPQIQ-UHFFFAOYSA-N
XLogP2.04
TPSA69.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-methoxy-2-N-(oxan-3-yl)pyridine-2,5-diamine
CID 63359888
4-[(5-amino-6-propan-2-yloxy-2-pyridinyl)amino]cyclohexan-1-ol
CID 43260966
2-N-(3,5-dimethylcyclohexyl)-6-propan-2-yloxypyridine-2,5-diamine
CID 64733639
2-N-(3,4-dimethylcyclohexyl)-6-propan-2-yloxypyridine-2,5-diamine
CID 64741880
3-N-(oxan-3-yl)-5-propan-2-yloxybenzene-1,3-diamine
CID 80734659
2-N-cyclooctyl-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine
CID 43261052
2-N-(3-methyloxolan-3-yl)-6-propan-2-yloxypyridine-2,5-diamine
CID 113481908
4-N-methyl-2-N-(oxan-3-yl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80830426
2-[(5-amino-6-propan-2-yloxy-2-pyridinyl)amino]-N-cyclopropylacetamide
CID 43568215
2-N-(3-methylbutan-2-yl)-6-propan-2-yloxypyridine-2,5-diamine
CID 43261264
2-N-cyclooctyl-6-propoxypyridine-2,5-diamine
CID 43261055
6-methoxy-2-N-(3-methyloxan-4-yl)pyridine-2,5-diamine
CID 114240788

Frequently Asked Questions

What is the IUPAC name of 2-N-(oxan-3-yl)-6-propan-2-yloxypyridine-2,5-diamine?
The IUPAC name of 2-N-(oxan-3-yl)-6-propan-2-yloxypyridine-2,5-diamine (CID 63359972) is 2-N-(oxan-3-yl)-6-propan-2-yloxypyridine-2,5-diamine.
What is the SMILES notation for 2-N-(oxan-3-yl)-6-propan-2-yloxypyridine-2,5-diamine?
The canonical SMILES for 2-N-(oxan-3-yl)-6-propan-2-yloxypyridine-2,5-diamine is CC(C)Oc1nc(NC2CCCOC2)ccc1N.
What is the InChIKey of 2-N-(oxan-3-yl)-6-propan-2-yloxypyridine-2,5-diamine?
The InChIKey is BQGOJYBBJHPQIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-9(2)18-13-11(14)5-6-12(16-13)15-10-4-3-7-17-8-10/h5-6,9-10H,3-4,7-8,14H2,1-2H3,(H,15,16).
What are the key properties of 2-N-(oxan-3-yl)-6-propan-2-yloxypyridine-2,5-diamine?
2-N-(oxan-3-yl)-6-propan-2-yloxypyridine-2,5-diamine has a molecular weight of 251.33 g/mol, XLogP of 2.04, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(oxan-3-yl)-6-propan-2-yloxypyridine-2,5-diamine is sourced from PubChem (CID 63359972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).