2-(2-ethoxycyclohexa-1,5-dien-1-yl)pyrimidine

C12H14N2O — CID 173147914

IUPAC2-(2-ethoxycyclohexa-1,5-dien-1-yl)pyrimidine
SMILESCCOC1=C(c2ncccn2)C=CCC1
InChIInChI=1S/C12H14N2O/c1-2-15-11-7-4-3-6-10(11)12-13-8-5-9-14-12/h3,5-6,8-9H,2,4,7H2,1H3
InChIKeyJKNGIGCBDXOYBI-UHFFFAOYSA-N
MW202.26 g/mol
LogP2.57
Rot. Bonds3

About 2-(2-ethoxycyclohexa-1,5-dien-1-yl)pyrimidine

2-(2-ethoxycyclohexa-1,5-dien-1-yl)pyrimidine (PubChem CID 173147914) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is 2-(2-ethoxycyclohexa-1,5-dien-1-yl)pyrimidine.

Molecular Properties

Compound Name2-(2-ethoxycyclohexa-1,5-dien-1-yl)pyrimidine
PubChem CID173147914
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name2-(2-ethoxycyclohexa-1,5-dien-1-yl)pyrimidine
SMILESCCOC1=C(c2ncccn2)C=CCC1
InChIInChI=1S/C12H14N2O/c1-2-15-11-7-4-3-6-10(11)12-13-8-5-9-14-12/h3,5-6,8-9H,2,4,7H2,1H3
InChIKeyJKNGIGCBDXOYBI-UHFFFAOYSA-N
XLogP2.57
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxycyclohexa-1,5-dien-1-yl)pyrimidine?
The IUPAC name of 2-(2-ethoxycyclohexa-1,5-dien-1-yl)pyrimidine (CID 173147914) is 2-(2-ethoxycyclohexa-1,5-dien-1-yl)pyrimidine.
What is the SMILES notation for 2-(2-ethoxycyclohexa-1,5-dien-1-yl)pyrimidine?
The canonical SMILES for 2-(2-ethoxycyclohexa-1,5-dien-1-yl)pyrimidine is CCOC1=C(c2ncccn2)C=CCC1.
What is the InChIKey of 2-(2-ethoxycyclohexa-1,5-dien-1-yl)pyrimidine?
The InChIKey is JKNGIGCBDXOYBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c1-2-15-11-7-4-3-6-10(11)12-13-8-5-9-14-12/h3,5-6,8-9H,2,4,7H2,1H3.
What are the key properties of 2-(2-ethoxycyclohexa-1,5-dien-1-yl)pyrimidine?
2-(2-ethoxycyclohexa-1,5-dien-1-yl)pyrimidine has a molecular weight of 202.26 g/mol, XLogP of 2.57, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxycyclohexa-1,5-dien-1-yl)pyrimidine is sourced from PubChem (CID 173147914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).