2-(3-ethylcyclohexa-1,3-dien-1-yl)pyrimidine

C12H14N2 — CID 89105510

IUPAC2-(3-ethylcyclohexa-1,3-dien-1-yl)pyrimidine
SMILESCCC1=CCCC(c2ncccn2)=C1
InChIInChI=1S/C12H14N2/c1-2-10-5-3-6-11(9-10)12-13-7-4-8-14-12/h4-5,7-9H,2-3,6H2,1H3
InChIKeyLLSQJRGRCDMOLG-UHFFFAOYSA-N
MW186.26 g/mol
LogP2.99
Rot. Bonds2

About 2-(3-ethylcyclohexa-1,3-dien-1-yl)pyrimidine

2-(3-ethylcyclohexa-1,3-dien-1-yl)pyrimidine (PubChem CID 89105510) has the molecular formula C12H14N2 and a molecular weight of 186.26 g/mol. Its IUPAC name is 2-(3-ethylcyclohexa-1,3-dien-1-yl)pyrimidine.

Molecular Properties

Compound Name2-(3-ethylcyclohexa-1,3-dien-1-yl)pyrimidine
PubChem CID89105510
Molecular FormulaC12H14N2
Molecular Weight186.26 g/mol
Exact Mass186.12
IUPAC Name2-(3-ethylcyclohexa-1,3-dien-1-yl)pyrimidine
SMILESCCC1=CCCC(c2ncccn2)=C1
InChIInChI=1S/C12H14N2/c1-2-10-5-3-6-11(9-10)12-13-7-4-8-14-12/h4-5,7-9H,2-3,6H2,1H3
InChIKeyLLSQJRGRCDMOLG-UHFFFAOYSA-N
XLogP2.99
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.26
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-ethylcyclohexa-1,3-dien-1-yl)pyrimidine?
The IUPAC name of 2-(3-ethylcyclohexa-1,3-dien-1-yl)pyrimidine (CID 89105510) is 2-(3-ethylcyclohexa-1,3-dien-1-yl)pyrimidine.
What is the SMILES notation for 2-(3-ethylcyclohexa-1,3-dien-1-yl)pyrimidine?
The canonical SMILES for 2-(3-ethylcyclohexa-1,3-dien-1-yl)pyrimidine is CCC1=CCCC(c2ncccn2)=C1.
What is the InChIKey of 2-(3-ethylcyclohexa-1,3-dien-1-yl)pyrimidine?
The InChIKey is LLSQJRGRCDMOLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2/c1-2-10-5-3-6-11(9-10)12-13-7-4-8-14-12/h4-5,7-9H,2-3,6H2,1H3.
What are the key properties of 2-(3-ethylcyclohexa-1,3-dien-1-yl)pyrimidine?
2-(3-ethylcyclohexa-1,3-dien-1-yl)pyrimidine has a molecular weight of 186.26 g/mol, XLogP of 2.99, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethylcyclohexa-1,3-dien-1-yl)pyrimidine is sourced from PubChem (CID 89105510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).