6,6-dimethylpyrimido[4,5-c]azepine

C10H11N3 — CID 89075690

IUPAC6,6-dimethylpyrimido[4,5-c]azepine
SMILESCC1(C)C=NC=c2ncncc2=C1
InChIInChI=1S/C10H11N3/c1-10(2)3-8-4-12-7-13-9(8)5-11-6-10/h3-7H,1-2H3
InChIKeyDHYAYXAVJZDCPU-UHFFFAOYSA-N
MW173.22 g/mol
LogP0.11
Rot. Bonds

About 6,6-dimethylpyrimido[4,5-c]azepine

6,6-dimethylpyrimido[4,5-c]azepine (PubChem CID 89075690) has the molecular formula C10H11N3 and a molecular weight of 173.22 g/mol. Its IUPAC name is 6,6-dimethylpyrimido[4,5-c]azepine.

Molecular Properties

Compound Name6,6-dimethylpyrimido[4,5-c]azepine
PubChem CID89075690
Molecular FormulaC10H11N3
Molecular Weight173.22 g/mol
Exact Mass173.10
IUPAC Name6,6-dimethylpyrimido[4,5-c]azepine
SMILESCC1(C)C=NC=c2ncncc2=C1
InChIInChI=1S/C10H11N3/c1-10(2)3-8-4-12-7-13-9(8)5-11-6-10/h3-7H,1-2H3
InChIKeyDHYAYXAVJZDCPU-UHFFFAOYSA-N
XLogP0.11
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 ≤ 50.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6,6-dimethylpyrimido[4,5-c]azepine?
The IUPAC name of 6,6-dimethylpyrimido[4,5-c]azepine (CID 89075690) is 6,6-dimethylpyrimido[4,5-c]azepine.
What is the SMILES notation for 6,6-dimethylpyrimido[4,5-c]azepine?
The canonical SMILES for 6,6-dimethylpyrimido[4,5-c]azepine is CC1(C)C=NC=c2ncncc2=C1.
What is the InChIKey of 6,6-dimethylpyrimido[4,5-c]azepine?
The InChIKey is DHYAYXAVJZDCPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3/c1-10(2)3-8-4-12-7-13-9(8)5-11-6-10/h3-7H,1-2H3.
What are the key properties of 6,6-dimethylpyrimido[4,5-c]azepine?
6,6-dimethylpyrimido[4,5-c]azepine has a molecular weight of 173.22 g/mol, XLogP of 0.11, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethylpyrimido[4,5-c]azepine is sourced from PubChem (CID 89075690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).