2,4-dimethyl-5,6,7,8,9,10,11,12-octahydropyrimido[5,4-e]azecine;ethane

C15H27N3 — CID 178044254

IUPAC2,4-dimethyl-5,6,7,8,9,10,11,12-octahydropyrimido[5,4-e]azecine;ethane
SMILESCC.Cc1nc(C)c2c(n1)CCCCNCCC2
InChIInChI=1S/C13H21N3.C2H6/c1-10-12-6-5-9-14-8-4-3-7-13(12)16-11(2)15-10;1-2/h14H,3-9H2,1-2H3;1-2H3
InChIKeyIQBUJQRHGLRQDQ-UHFFFAOYSA-N
MW249.40 g/mol
LogP2.98
Rot. Bonds

About 2,4-dimethyl-5,6,7,8,9,10,11,12-octahydropyrimido[5,4-e]azecine;ethane

2,4-dimethyl-5,6,7,8,9,10,11,12-octahydropyrimido[5,4-e]azecine;ethane (PubChem CID 178044254) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is 2,4-dimethyl-5,6,7,8,9,10,11,12-octahydropyrimido[5,4-e]azecine;ethane.

Molecular Properties

Compound Name2,4-dimethyl-5,6,7,8,9,10,11,12-octahydropyrimido[5,4-e]azecine;ethane
PubChem CID178044254
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC Name2,4-dimethyl-5,6,7,8,9,10,11,12-octahydropyrimido[5,4-e]azecine;ethane
SMILESCC.Cc1nc(C)c2c(n1)CCCCNCCC2
InChIInChI=1S/C13H21N3.C2H6/c1-10-12-6-5-9-14-8-4-3-7-13(12)16-11(2)15-10;1-2/h14H,3-9H2,1-2H3;1-2H3
InChIKeyIQBUJQRHGLRQDQ-UHFFFAOYSA-N
XLogP2.98
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-5,6,7,8,9,10,11,12-octahydropyrimido[5,4-e]azecine;ethane?
The IUPAC name of 2,4-dimethyl-5,6,7,8,9,10,11,12-octahydropyrimido[5,4-e]azecine;ethane (CID 178044254) is 2,4-dimethyl-5,6,7,8,9,10,11,12-octahydropyrimido[5,4-e]azecine;ethane.
What is the SMILES notation for 2,4-dimethyl-5,6,7,8,9,10,11,12-octahydropyrimido[5,4-e]azecine;ethane?
The canonical SMILES for 2,4-dimethyl-5,6,7,8,9,10,11,12-octahydropyrimido[5,4-e]azecine;ethane is CC.Cc1nc(C)c2c(n1)CCCCNCCC2.
What is the InChIKey of 2,4-dimethyl-5,6,7,8,9,10,11,12-octahydropyrimido[5,4-e]azecine;ethane?
The InChIKey is IQBUJQRHGLRQDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3.C2H6/c1-10-12-6-5-9-14-8-4-3-7-13(12)16-11(2)15-10;1-2/h14H,3-9H2,1-2H3;1-2H3.
What are the key properties of 2,4-dimethyl-5,6,7,8,9,10,11,12-octahydropyrimido[5,4-e]azecine;ethane?
2,4-dimethyl-5,6,7,8,9,10,11,12-octahydropyrimido[5,4-e]azecine;ethane has a molecular weight of 249.40 g/mol, XLogP of 2.98, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-5,6,7,8,9,10,11,12-octahydropyrimido[5,4-e]azecine;ethane is sourced from PubChem (CID 178044254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).