8,8-dimethylpyrimido[1,2-a]azepine

C11H12N2 — CID 143862134

IUPAC8,8-dimethylpyrimido[1,2-a]azepine
SMILESCC1(C)C=CC2=NC=C=CN2C=C1
InChIInChI=1S/C11H12N2/c1-11(2)5-4-10-12-7-3-8-13(10)9-6-11/h4-9H,1-2H3
InChIKeyQJGJDJILKDQTQW-UHFFFAOYSA-N
MW172.23 g/mol
LogP2.44
Rot. Bonds

About 8,8-dimethylpyrimido[1,2-a]azepine

8,8-dimethylpyrimido[1,2-a]azepine (PubChem CID 143862134) has the molecular formula C11H12N2 and a molecular weight of 172.23 g/mol. Its IUPAC name is 8,8-dimethylpyrimido[1,2-a]azepine.

Molecular Properties

Compound Name8,8-dimethylpyrimido[1,2-a]azepine
PubChem CID143862134
Molecular FormulaC11H12N2
Molecular Weight172.23 g/mol
Exact Mass172.10
IUPAC Name8,8-dimethylpyrimido[1,2-a]azepine
SMILESCC1(C)C=CC2=NC=C=CN2C=C1
InChIInChI=1S/C11H12N2/c1-11(2)5-4-10-12-7-3-8-13(10)9-6-11/h4-9H,1-2H3
InChIKeyQJGJDJILKDQTQW-UHFFFAOYSA-N
XLogP2.44
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethenyl-5-ethyl-1-methylpyridin-2-imine
CID 89142774
N,N,3-trimethyl-2,3-dihydropyridin-6-amine
CID 118066584
1-ethenyl-N,5-dimethylpyridin-2-imine
CID 122691861
N-ethyl-1,5,5-trimethylazepin-2-imine
CID 123171134
5,5-Dimethylazepin-2-amine
CID 123272233
2-N,2-N,5-trimethylazepine-2,5-diamine
CID 123646662
N'-(5,5-dimethylazepin-2-yl)-N,N-dimethylmethanimidamide
CID 126584530
N,1,5-trimethylpyridin-2-imine
CID 135258651
N,1-bis(ethenyl)-5-methylpyridin-2-imine
CID 139527751
1-ethenyl-5-ethyl-N-methylpyridin-2-imine
CID 142917596
N,N,3-trimethyl-4H-azepin-7-amine
CID 143217510
ethane;1-ethenyl-N,5-dimethylpyridin-2-imine
CID 143611239

Frequently Asked Questions

What is the IUPAC name of 8,8-dimethylpyrimido[1,2-a]azepine?
The IUPAC name of 8,8-dimethylpyrimido[1,2-a]azepine (CID 143862134) is 8,8-dimethylpyrimido[1,2-a]azepine.
What is the SMILES notation for 8,8-dimethylpyrimido[1,2-a]azepine?
The canonical SMILES for 8,8-dimethylpyrimido[1,2-a]azepine is CC1(C)C=CC2=NC=C=CN2C=C1.
What is the InChIKey of 8,8-dimethylpyrimido[1,2-a]azepine?
The InChIKey is QJGJDJILKDQTQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2/c1-11(2)5-4-10-12-7-3-8-13(10)9-6-11/h4-9H,1-2H3.
What are the key properties of 8,8-dimethylpyrimido[1,2-a]azepine?
8,8-dimethylpyrimido[1,2-a]azepine has a molecular weight of 172.23 g/mol, XLogP of 2.44, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8-dimethylpyrimido[1,2-a]azepine is sourced from PubChem (CID 143862134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).