4,6,7,8,9,10-hexahydropyrimido[1,2-a]azepine

C9H14N2 — CID 58926906

IUPAC4,6,7,8,9,10-hexahydropyrimido[1,2-a]azepine
SMILESC1=CN=C2CCCCCN2C1
InChIInChI=1S/C9H14N2/c1-2-5-9-10-6-4-8-11(9)7-3-1/h4,6H,1-3,5,7-8H2
InChIKeyQZTKKQOINGMECI-UHFFFAOYSA-N
MW150.23 g/mol
LogP1.79
Rot. Bonds

About 4,6,7,8,9,10-hexahydropyrimido[1,2-a]azepine

4,6,7,8,9,10-hexahydropyrimido[1,2-a]azepine (PubChem CID 58926906) has the molecular formula C9H14N2 and a molecular weight of 150.23 g/mol. Its IUPAC name is 4,6,7,8,9,10-hexahydropyrimido[1,2-a]azepine.

Molecular Properties

Compound Name4,6,7,8,9,10-hexahydropyrimido[1,2-a]azepine
PubChem CID58926906
Molecular FormulaC9H14N2
Molecular Weight150.23 g/mol
Exact Mass150.12
IUPAC Name4,6,7,8,9,10-hexahydropyrimido[1,2-a]azepine
SMILESC1=CN=C2CCCCCN2C1
InChIInChI=1S/C9H14N2/c1-2-5-9-10-6-4-8-11(9)7-3-1/h4,6H,1-3,5,7-8H2
InChIKeyQZTKKQOINGMECI-UHFFFAOYSA-N
XLogP1.79
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.23
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,6,7,8,9,10-hexahydropyrimido[1,2-a]azepine?
The IUPAC name of 4,6,7,8,9,10-hexahydropyrimido[1,2-a]azepine (CID 58926906) is 4,6,7,8,9,10-hexahydropyrimido[1,2-a]azepine.
What is the SMILES notation for 4,6,7,8,9,10-hexahydropyrimido[1,2-a]azepine?
The canonical SMILES for 4,6,7,8,9,10-hexahydropyrimido[1,2-a]azepine is C1=CN=C2CCCCCN2C1.
What is the InChIKey of 4,6,7,8,9,10-hexahydropyrimido[1,2-a]azepine?
The InChIKey is QZTKKQOINGMECI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2/c1-2-5-9-10-6-4-8-11(9)7-3-1/h4,6H,1-3,5,7-8H2.
What are the key properties of 4,6,7,8,9,10-hexahydropyrimido[1,2-a]azepine?
4,6,7,8,9,10-hexahydropyrimido[1,2-a]azepine has a molecular weight of 150.23 g/mol, XLogP of 1.79, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6,7,8,9,10-hexahydropyrimido[1,2-a]azepine is sourced from PubChem (CID 58926906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).