6-methyl-5-N-(oxan-4-yl)pyridine-2,5-diamine

C11H17N3O — CID 166540893

IUPAC6-methyl-5-N-(oxan-4-yl)pyridine-2,5-diamine
SMILESCc1nc(N)ccc1NC1CCOCC1
InChIInChI=1S/C11H17N3O/c1-8-10(2-3-11(12)13-8)14-9-4-6-15-7-5-9/h2-3,9,14H,4-7H2,1H3,(H2,12,13)
InChIKeyPGVBXOCZEGXNPD-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.56
Rot. Bonds2

About 6-methyl-5-N-(oxan-4-yl)pyridine-2,5-diamine

6-methyl-5-N-(oxan-4-yl)pyridine-2,5-diamine (PubChem CID 166540893) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 6-methyl-5-N-(oxan-4-yl)pyridine-2,5-diamine.

Molecular Properties

Compound Name6-methyl-5-N-(oxan-4-yl)pyridine-2,5-diamine
PubChem CID166540893
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name6-methyl-5-N-(oxan-4-yl)pyridine-2,5-diamine
SMILESCc1nc(N)ccc1NC1CCOCC1
InChIInChI=1S/C11H17N3O/c1-8-10(2-3-11(12)13-8)14-9-4-6-15-7-5-9/h2-3,9,14H,4-7H2,1H3,(H2,12,13)
InChIKeyPGVBXOCZEGXNPD-UHFFFAOYSA-N
XLogP1.56
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-5-N-(oxan-4-yl)pyridine-2,5-diamine?
The IUPAC name of 6-methyl-5-N-(oxan-4-yl)pyridine-2,5-diamine (CID 166540893) is 6-methyl-5-N-(oxan-4-yl)pyridine-2,5-diamine.
What is the SMILES notation for 6-methyl-5-N-(oxan-4-yl)pyridine-2,5-diamine?
The canonical SMILES for 6-methyl-5-N-(oxan-4-yl)pyridine-2,5-diamine is Cc1nc(N)ccc1NC1CCOCC1.
What is the InChIKey of 6-methyl-5-N-(oxan-4-yl)pyridine-2,5-diamine?
The InChIKey is PGVBXOCZEGXNPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-8-10(2-3-11(12)13-8)14-9-4-6-15-7-5-9/h2-3,9,14H,4-7H2,1H3,(H2,12,13).
What are the key properties of 6-methyl-5-N-(oxan-4-yl)pyridine-2,5-diamine?
6-methyl-5-N-(oxan-4-yl)pyridine-2,5-diamine has a molecular weight of 207.28 g/mol, XLogP of 1.56, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5-N-(oxan-4-yl)pyridine-2,5-diamine is sourced from PubChem (CID 166540893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).