6H-cyclohepta[d]pyrimidine;ethane

C13H20N2 — CID 143877760

IUPAC6H-cyclohepta[d]pyrimidine;ethane
SMILESC1=CCC=c2cncnc2=C1.CC.CC
InChIInChI=1S/C9H8N2.2C2H6/c1-2-4-8-6-10-7-11-9(8)5-3-1;2*1-2/h1,3-7H,2H2;2*1-2H3
InChIKeyZLVPPCMFNOPPQJ-UHFFFAOYSA-N
MW204.32 g/mol
LogP2.05
Rot. Bonds

About 6H-cyclohepta[d]pyrimidine;ethane

6H-cyclohepta[d]pyrimidine;ethane (PubChem CID 143877760) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is 6H-cyclohepta[d]pyrimidine;ethane.

Molecular Properties

Compound Name6H-cyclohepta[d]pyrimidine;ethane
PubChem CID143877760
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name6H-cyclohepta[d]pyrimidine;ethane
SMILESC1=CCC=c2cncnc2=C1.CC.CC
InChIInChI=1S/C9H8N2.2C2H6/c1-2-4-8-6-10-7-11-9(8)5-3-1;2*1-2/h1,3-7H,2H2;2*1-2H3
InChIKeyZLVPPCMFNOPPQJ-UHFFFAOYSA-N
XLogP2.05
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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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
(2E)-N-methyl-2-(3-methylidene-2-pyridinylidene)ethanimine
CID 88271063
(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
(5E)-5-[(Z)-but-2-enylidene]-4-propan-2-ylidenepyrimidine
CID 89385025

Frequently Asked Questions

What is the IUPAC name of 6H-cyclohepta[d]pyrimidine;ethane?
The IUPAC name of 6H-cyclohepta[d]pyrimidine;ethane (CID 143877760) is 6H-cyclohepta[d]pyrimidine;ethane.
What is the SMILES notation for 6H-cyclohepta[d]pyrimidine;ethane?
The canonical SMILES for 6H-cyclohepta[d]pyrimidine;ethane is C1=CCC=c2cncnc2=C1.CC.CC.
What is the InChIKey of 6H-cyclohepta[d]pyrimidine;ethane?
The InChIKey is ZLVPPCMFNOPPQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2.2C2H6/c1-2-4-8-6-10-7-11-9(8)5-3-1;2*1-2/h1,3-7H,2H2;2*1-2H3.
What are the key properties of 6H-cyclohepta[d]pyrimidine;ethane?
6H-cyclohepta[d]pyrimidine;ethane has a molecular weight of 204.32 g/mol, XLogP of 2.05, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6H-cyclohepta[d]pyrimidine;ethane is sourced from PubChem (CID 143877760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).