pyrimido[1,2-b][2]benzazepine

C13H10N2 — CID 54222472

IUPACpyrimido[1,2-b][2]benzazepine
SMILESC1=CN2C=c3ccccc3=CC=C2N=C1
InChIInChI=1S/C13H10N2/c1-2-5-12-10-15-9-3-8-14-13(15)7-6-11(12)4-1/h1-10H
InChIKeyQDOHCFVNYGMXON-UHFFFAOYSA-N
MW194.24 g/mol
LogP0.96
Rot. Bonds

About pyrimido[1,2-b][2]benzazepine

pyrimido[1,2-b][2]benzazepine (PubChem CID 54222472) has the molecular formula C13H10N2 and a molecular weight of 194.24 g/mol. Its IUPAC name is pyrimido[1,2-b][2]benzazepine.

Molecular Properties

Compound Namepyrimido[1,2-b][2]benzazepine
PubChem CID54222472
Molecular FormulaC13H10N2
Molecular Weight194.24 g/mol
Exact Mass194.08
IUPAC Namepyrimido[1,2-b][2]benzazepine
SMILESC1=CN2C=c3ccccc3=CC=C2N=C1
InChIInChI=1S/C13H10N2/c1-2-5-12-10-15-9-3-8-14-13(15)7-6-11(12)4-1/h1-10H
InChIKeyQDOHCFVNYGMXON-UHFFFAOYSA-N
XLogP0.96
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of pyrimido[1,2-b][2]benzazepine?
The IUPAC name of pyrimido[1,2-b][2]benzazepine (CID 54222472) is pyrimido[1,2-b][2]benzazepine.
What is the SMILES notation for pyrimido[1,2-b][2]benzazepine?
The canonical SMILES for pyrimido[1,2-b][2]benzazepine is C1=CN2C=c3ccccc3=CC=C2N=C1.
What is the InChIKey of pyrimido[1,2-b][2]benzazepine?
The InChIKey is QDOHCFVNYGMXON-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2/c1-2-5-12-10-15-9-3-8-14-13(15)7-6-11(12)4-1/h1-10H.
What are the key properties of pyrimido[1,2-b][2]benzazepine?
pyrimido[1,2-b][2]benzazepine has a molecular weight of 194.24 g/mol, XLogP of 0.96, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for pyrimido[1,2-b][2]benzazepine is sourced from PubChem (CID 54222472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).