2-(2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepin-7-yloxy)ethanol

C11H20N2O2 — CID 174244915

IUPAC2-(2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepin-7-yloxy)ethanol
SMILESOCCOC1CCCC2=NCCCN2C1
InChIInChI=1S/C11H20N2O2/c14-7-8-15-10-3-1-4-11-12-5-2-6-13(11)9-10/h10,14H,1-9H2
InChIKeyJAYFZYCZPFQCMZ-UHFFFAOYSA-N
MW212.29 g/mol
LogP0.65
Rot. Bonds3

About 2-(2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepin-7-yloxy)ethanol

2-(2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepin-7-yloxy)ethanol (PubChem CID 174244915) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 2-(2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepin-7-yloxy)ethanol.

Molecular Properties

Compound Name2-(2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepin-7-yloxy)ethanol
PubChem CID174244915
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name2-(2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepin-7-yloxy)ethanol
SMILESOCCOC1CCCC2=NCCCN2C1
InChIInChI=1S/C11H20N2O2/c14-7-8-15-10-3-1-4-11-12-5-2-6-13(11)9-10/h10,14H,1-9H2
InChIKeyJAYFZYCZPFQCMZ-UHFFFAOYSA-N
XLogP0.65
TPSA45.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepin-7-yloxy)ethanol?
The IUPAC name of 2-(2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepin-7-yloxy)ethanol (CID 174244915) is 2-(2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepin-7-yloxy)ethanol.
What is the SMILES notation for 2-(2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepin-7-yloxy)ethanol?
The canonical SMILES for 2-(2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepin-7-yloxy)ethanol is OCCOC1CCCC2=NCCCN2C1.
What is the InChIKey of 2-(2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepin-7-yloxy)ethanol?
The InChIKey is JAYFZYCZPFQCMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c14-7-8-15-10-3-1-4-11-12-5-2-6-13(11)9-10/h10,14H,1-9H2.
What are the key properties of 2-(2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepin-7-yloxy)ethanol?
2-(2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepin-7-yloxy)ethanol has a molecular weight of 212.29 g/mol, XLogP of 0.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepin-7-yloxy)ethanol is sourced from PubChem (CID 174244915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).