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

C10H18N2 — CID 13775860

IUPAC6-methyl-2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine
SMILESCC1CCCCC2=NCCCN12
InChIInChI=1S/C10H18N2/c1-9-5-2-3-6-10-11-7-4-8-12(9)10/h9H,2-8H2,1H3
InChIKeyCGJKLVHKQLKPPU-UHFFFAOYSA-N
MW166.26 g/mol
LogP1.00
Rot. Bonds

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

6-Methyl-2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine (PubChem CID 13775860) has the molecular formula C10H18N2 and a molecular weight of 166.26 g/mol. Its IUPAC name is 6-methyl-2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine.

Molecular Properties

Compound Name6-Methyl-2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine
PubChem CID13775860
Molecular FormulaC10H18N2
Molecular Weight166.26 g/mol
Exact Mass166.15
IUPAC Name6-methyl-2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine
SMILESCC1CCCCC2=NCCCN12
InChIInChI=1S/C10H18N2/c1-9-5-2-3-6-10-11-7-4-8-12(9)10/h9H,2-8H2,1H3
InChIKeyCGJKLVHKQLKPPU-UHFFFAOYSA-N
XLogP1.00
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity186

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.26
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 6-Methyl-2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine with MolForge

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Related Compounds

1,8-Diazabicyclo(5.4.0)undec-7-ene
CID 81184
6-(Dibutylamino)-1,8-diazabicyclo[5.4.0]undec-7-ene
CID 3945075
1,8-Diazabicyclo[5.4.0]-7-undecene Hydrogen Tribromide
CID 56593867
10-Ethyl-2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine
CID 89941142
1-Ethyl-1,8-diazabicyclo [5.4.0]undec-7-enium chloride
CID 132275718
1-Octyl-1,8-diazabicyclo(5,4,0)undec-7-enium bromide
CID 141365284
1-Butyl-2,3,4,6,7,8,9,10-octahydro-1H-pyrimido[1,2-a]azepin-5-ium bromide
CID 13717937
CID 12957621
CID 12957621
1-Propyl-2,3,4,6,7,8,9,10-octahydropyrimido-[1,2-a]azepin-1-ium chloride
CID 129741329
1-Butyl-1,8-diazabicyclo[5.4.0]undec-7-enium chloride
CID 129842673
2-methyl-1-pentadecan-2-yl-5,6-dihydro-4H-pyrimidine
CID 329078
2-methyl-1-undecan-2-yl-5,6-dihydro-4H-pyrimidine
CID 329079

Frequently Asked Questions

What is the IUPAC name of 6-Methyl-2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine?
The IUPAC name of 6-Methyl-2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine (CID 13775860) is 6-methyl-2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine.
What is the SMILES notation for 6-Methyl-2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine?
The canonical SMILES for 6-Methyl-2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine is CC1CCCCC2=NCCCN12.
What is the InChIKey of 6-Methyl-2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine?
The InChIKey is CGJKLVHKQLKPPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2/c1-9-5-2-3-6-10-11-7-4-8-12(9)10/h9H,2-8H2,1H3.
What are the key properties of 6-Methyl-2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine?
6-Methyl-2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine has a molecular weight of 166.26 g/mol, XLogP of 1.00, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-Methyl-2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine is sourced from PubChem (CID 13775860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).