2-N-(3-methoxycyclobutyl)-6-propoxypyridine-2,5-diamine

C13H21N3O2 — CID 114118765

IUPAC2-N-(3-methoxycyclobutyl)-6-propoxypyridine-2,5-diamine
SMILESCCCOc1nc(NC2CC(OC)C2)ccc1N
InChIInChI=1S/C13H21N3O2/c1-3-6-18-13-11(14)4-5-12(16-13)15-9-7-10(8-9)17-2/h4-5,9-10H,3,6-8,14H2,1-2H3,(H,15,16)
InChIKeyTZCYOVKMVGBFFH-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.04
Rot. Bonds6

About 2-N-(3-methoxycyclobutyl)-6-propoxypyridine-2,5-diamine

2-N-(3-methoxycyclobutyl)-6-propoxypyridine-2,5-diamine (PubChem CID 114118765) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-N-(3-methoxycyclobutyl)-6-propoxypyridine-2,5-diamine.

Molecular Properties

Compound Name2-N-(3-methoxycyclobutyl)-6-propoxypyridine-2,5-diamine
PubChem CID114118765
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name2-N-(3-methoxycyclobutyl)-6-propoxypyridine-2,5-diamine
SMILESCCCOc1nc(NC2CC(OC)C2)ccc1N
InChIInChI=1S/C13H21N3O2/c1-3-6-18-13-11(14)4-5-12(16-13)15-9-7-10(8-9)17-2/h4-5,9-10H,3,6-8,14H2,1-2H3,(H,15,16)
InChIKeyTZCYOVKMVGBFFH-UHFFFAOYSA-N
XLogP2.04
TPSA69.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
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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Frequently Asked Questions

What is the IUPAC name of 2-N-(3-methoxycyclobutyl)-6-propoxypyridine-2,5-diamine?
The IUPAC name of 2-N-(3-methoxycyclobutyl)-6-propoxypyridine-2,5-diamine (CID 114118765) is 2-N-(3-methoxycyclobutyl)-6-propoxypyridine-2,5-diamine.
What is the SMILES notation for 2-N-(3-methoxycyclobutyl)-6-propoxypyridine-2,5-diamine?
The canonical SMILES for 2-N-(3-methoxycyclobutyl)-6-propoxypyridine-2,5-diamine is CCCOc1nc(NC2CC(OC)C2)ccc1N.
What is the InChIKey of 2-N-(3-methoxycyclobutyl)-6-propoxypyridine-2,5-diamine?
The InChIKey is TZCYOVKMVGBFFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-3-6-18-13-11(14)4-5-12(16-13)15-9-7-10(8-9)17-2/h4-5,9-10H,3,6-8,14H2,1-2H3,(H,15,16).
What are the key properties of 2-N-(3-methoxycyclobutyl)-6-propoxypyridine-2,5-diamine?
2-N-(3-methoxycyclobutyl)-6-propoxypyridine-2,5-diamine has a molecular weight of 251.33 g/mol, XLogP of 2.04, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-methoxycyclobutyl)-6-propoxypyridine-2,5-diamine is sourced from PubChem (CID 114118765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).