4-methyl-2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine

C10H18N2 — CID 22670654

IUPAC4-methyl-2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine
SMILESCC1CCN=C2CCCCCN21
InChIInChI=1S/C10H18N2/c1-9-6-7-11-10-5-3-2-4-8-12(9)10/h9H,2-8H2,1H3
InChIKeyHNCCUOADCSRIDL-UHFFFAOYSA-N
MW166.27 g/mol
LogP2.05
Rot. Bonds

About 4-methyl-2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine

4-methyl-2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine (PubChem CID 22670654) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is 4-methyl-2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine.

Molecular Properties

Compound Name4-methyl-2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine
PubChem CID22670654
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name4-methyl-2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine
SMILESCC1CCN=C2CCCCCN21
InChIInChI=1S/C10H18N2/c1-9-6-7-11-10-5-3-2-4-8-12(9)10/h9H,2-8H2,1H3
InChIKeyHNCCUOADCSRIDL-UHFFFAOYSA-N
XLogP2.05
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine?
The IUPAC name of 4-methyl-2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine (CID 22670654) is 4-methyl-2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine.
What is the SMILES notation for 4-methyl-2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine?
The canonical SMILES for 4-methyl-2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine is CC1CCN=C2CCCCCN21.
What is the InChIKey of 4-methyl-2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine?
The InChIKey is HNCCUOADCSRIDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2/c1-9-6-7-11-10-5-3-2-4-8-12(9)10/h9H,2-8H2,1H3.
What are the key properties of 4-methyl-2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine?
4-methyl-2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine has a molecular weight of 166.27 g/mol, XLogP of 2.05, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine is sourced from PubChem (CID 22670654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).