6,6-dimethylcyclohepta[d]pyrimidine

C11H12N2 — CID 70316666

IUPAC6,6-dimethylcyclohepta[d]pyrimidine
SMILESCC1(C)C=CC=c2ncncc2=C1
InChIInChI=1S/C11H12N2/c1-11(2)5-3-4-10-9(6-11)7-12-8-13-10/h3-8H,1-2H3
InChIKeyHTHCSMIQHCQKBS-UHFFFAOYSA-N
MW172.23 g/mol
LogP0.63
Rot. Bonds

About 6,6-dimethylcyclohepta[d]pyrimidine

6,6-dimethylcyclohepta[d]pyrimidine (PubChem CID 70316666) has the molecular formula C11H12N2 and a molecular weight of 172.23 g/mol. Its IUPAC name is 6,6-dimethylcyclohepta[d]pyrimidine.

Molecular Properties

Compound Name6,6-dimethylcyclohepta[d]pyrimidine
PubChem CID70316666
Molecular FormulaC11H12N2
Molecular Weight172.23 g/mol
Exact Mass172.10
IUPAC Name6,6-dimethylcyclohepta[d]pyrimidine
SMILESCC1(C)C=CC=c2ncncc2=C1
InChIInChI=1S/C11H12N2/c1-11(2)5-3-4-10-9(6-11)7-12-8-13-10/h3-8H,1-2H3
InChIKeyHTHCSMIQHCQKBS-UHFFFAOYSA-N
XLogP0.63
TPSA25.78 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 ≤ 50.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 6,6-dimethylcyclohepta[d]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6,6-dimethylcyclohepta[d]pyrimidine?
The IUPAC name of 6,6-dimethylcyclohepta[d]pyrimidine (CID 70316666) is 6,6-dimethylcyclohepta[d]pyrimidine.
What is the SMILES notation for 6,6-dimethylcyclohepta[d]pyrimidine?
The canonical SMILES for 6,6-dimethylcyclohepta[d]pyrimidine is CC1(C)C=CC=c2ncncc2=C1.
What is the InChIKey of 6,6-dimethylcyclohepta[d]pyrimidine?
The InChIKey is HTHCSMIQHCQKBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2/c1-11(2)5-3-4-10-9(6-11)7-12-8-13-10/h3-8H,1-2H3.
What are the key properties of 6,6-dimethylcyclohepta[d]pyrimidine?
6,6-dimethylcyclohepta[d]pyrimidine has a molecular weight of 172.23 g/mol, XLogP of 0.63, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethylcyclohepta[d]pyrimidine is sourced from PubChem (CID 70316666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).