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

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Related Compounds

6,6-Dimethylpyrimido[4,5-b]azepine
CID 70324931
8,8-Dimethylpyridazino[4,3-c]azepine
CID 70325137
(2E)-N-methyl-2-(3-methylidene-2-pyridinylidene)ethanimine
CID 88271063
8,8-Dimethylcyclohepta[b]pyridine
CID 88973533
(5E)-4-methyl-6-methylidene-5-[(Z)-pent-2-enylidene]pyrimidine
CID 89038797
6,6-Dimethylpyrimido[4,5-c]azepine
CID 89075690
(7R)-7-methyl-6,7-dihydroquinazoline
CID 89097060
(2Z,4E,6Z)-N-methyl-6-(2-methylidene-3-pyridinylidene)hexa-2,4-dien-1-imine
CID 89112517
6-methyl-6H-cyclohepta[d]pyrimidine
CID 89129896
(4Z,5E)-4-[(Z)-but-2-enylidene]-2-ethenyl-5-ethylidenepyridine
CID 89225903
(4E,5E)-4,5-di(ethylidene)pyrimidine
CID 89264943
3,7-dimethyl-8H-cyclohepta[b]pyridine
CID 89302809

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).