2,6-dimethyl-6H-pyrimido[4,5-c]azepine

C10H11N3 — CID 134242600

IUPAC2,6-dimethyl-6H-pyrimido[4,5-c]azepine
SMILESCc1ncc2c(n1)=CN=CC(C)C=2
InChIInChI=1S/C10H11N3/c1-7-3-9-5-12-8(2)13-10(9)6-11-4-7/h3-7H,1-2H3
InChIKeyPSYUMIXTHSFYSG-UHFFFAOYSA-N
MW173.22 g/mol
LogP0.02
Rot. Bonds

About 2,6-dimethyl-6H-pyrimido[4,5-c]azepine

2,6-dimethyl-6H-pyrimido[4,5-c]azepine (PubChem CID 134242600) has the molecular formula C10H11N3 and a molecular weight of 173.22 g/mol. Its IUPAC name is 2,6-dimethyl-6H-pyrimido[4,5-c]azepine.

Molecular Properties

Compound Name2,6-dimethyl-6H-pyrimido[4,5-c]azepine
PubChem CID134242600
Molecular FormulaC10H11N3
Molecular Weight173.22 g/mol
Exact Mass173.10
IUPAC Name2,6-dimethyl-6H-pyrimido[4,5-c]azepine
SMILESCc1ncc2c(n1)=CN=CC(C)C=2
InChIInChI=1S/C10H11N3/c1-7-3-9-5-12-8(2)13-10(9)6-11-4-7/h3-7H,1-2H3
InChIKeyPSYUMIXTHSFYSG-UHFFFAOYSA-N
XLogP0.02
TPSA38.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.22
LogP ≤ 50.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3Z)-3-ethylidene-N-[(Z)-3-methylbut-1-enyl]pyridin-2-imine
CID 70306674
6,6-Dimethylcyclohepta[d]pyrimidine
CID 70316666
6,6-Dimethylpyrimido[4,5-b]azepine
CID 70324931
8-methyl-8H-pyridazino[4,3-c]azepine
CID 89075684
6,6-Dimethylpyrimido[4,5-c]azepine
CID 89075690
(7R)-7-methyl-6,7-dihydroquinazoline
CID 89097060
6-methyl-6H-cyclohepta[d]pyrimidine
CID 89129896
(4E,5E)-4,5-di(ethylidene)pyrimidine
CID 89264943
(5E)-5-[(Z)-but-2-enylidene]-4-propan-2-ylidenepyrimidine
CID 89385025
5-Ethylidene-4-(2-methylbut-2-enylidene)pyrimidine
CID 90709637
2,3-Dimethylidene-1,8-naphthyridine
CID 91183051
6,7-Dimethylidenepyrido[2,3-d]pyrimidine
CID 91225692

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-6H-pyrimido[4,5-c]azepine?
The IUPAC name of 2,6-dimethyl-6H-pyrimido[4,5-c]azepine (CID 134242600) is 2,6-dimethyl-6H-pyrimido[4,5-c]azepine.
What is the SMILES notation for 2,6-dimethyl-6H-pyrimido[4,5-c]azepine?
The canonical SMILES for 2,6-dimethyl-6H-pyrimido[4,5-c]azepine is Cc1ncc2c(n1)=CN=CC(C)C=2.
What is the InChIKey of 2,6-dimethyl-6H-pyrimido[4,5-c]azepine?
The InChIKey is PSYUMIXTHSFYSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3/c1-7-3-9-5-12-8(2)13-10(9)6-11-4-7/h3-7H,1-2H3.
What are the key properties of 2,6-dimethyl-6H-pyrimido[4,5-c]azepine?
2,6-dimethyl-6H-pyrimido[4,5-c]azepine has a molecular weight of 173.22 g/mol, XLogP of 0.02, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-6H-pyrimido[4,5-c]azepine is sourced from PubChem (CID 134242600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).