4-ethoxy-6-[1-fluoro-1-(6-methylcyclohexa-1,3-dien-1-yl)ethyl]pyrimidine

C15H19FN2O — CID 163953667

IUPAC4-ethoxy-6-[1-fluoro-1-(6-methylcyclohexa-1,3-dien-1-yl)ethyl]pyrimidine
SMILESCCOc1cc(C(C)(F)C2=CC=CCC2C)ncn1
InChIInChI=1S/C15H19FN2O/c1-4-19-14-9-13(17-10-18-14)15(3,16)12-8-6-5-7-11(12)2/h5-6,8-11H,4,7H2,1-3H3
InChIKeySBNDIHWFSLLYMY-UHFFFAOYSA-N
MW262.33 g/mol
LogP3.58
Rot. Bonds4

About 4-ethoxy-6-[1-fluoro-1-(6-methylcyclohexa-1,3-dien-1-yl)ethyl]pyrimidine

4-ethoxy-6-[1-fluoro-1-(6-methylcyclohexa-1,3-dien-1-yl)ethyl]pyrimidine (PubChem CID 163953667) has the molecular formula C15H19FN2O and a molecular weight of 262.33 g/mol. Its IUPAC name is 4-ethoxy-6-[1-fluoro-1-(6-methylcyclohexa-1,3-dien-1-yl)ethyl]pyrimidine.

Molecular Properties

Compound Name4-ethoxy-6-[1-fluoro-1-(6-methylcyclohexa-1,3-dien-1-yl)ethyl]pyrimidine
PubChem CID163953667
Molecular FormulaC15H19FN2O
Molecular Weight262.33 g/mol
Exact Mass262.15
IUPAC Name4-ethoxy-6-[1-fluoro-1-(6-methylcyclohexa-1,3-dien-1-yl)ethyl]pyrimidine
SMILESCCOc1cc(C(C)(F)C2=CC=CCC2C)ncn1
InChIInChI=1S/C15H19FN2O/c1-4-19-14-9-13(17-10-18-14)15(3,16)12-8-6-5-7-11(12)2/h5-6,8-11H,4,7H2,1-3H3
InChIKeySBNDIHWFSLLYMY-UHFFFAOYSA-N
XLogP3.58
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-6-[1-fluoro-1-(6-methylcyclohexa-1,3-dien-1-yl)ethyl]pyrimidine?
The IUPAC name of 4-ethoxy-6-[1-fluoro-1-(6-methylcyclohexa-1,3-dien-1-yl)ethyl]pyrimidine (CID 163953667) is 4-ethoxy-6-[1-fluoro-1-(6-methylcyclohexa-1,3-dien-1-yl)ethyl]pyrimidine.
What is the SMILES notation for 4-ethoxy-6-[1-fluoro-1-(6-methylcyclohexa-1,3-dien-1-yl)ethyl]pyrimidine?
The canonical SMILES for 4-ethoxy-6-[1-fluoro-1-(6-methylcyclohexa-1,3-dien-1-yl)ethyl]pyrimidine is CCOc1cc(C(C)(F)C2=CC=CCC2C)ncn1.
What is the InChIKey of 4-ethoxy-6-[1-fluoro-1-(6-methylcyclohexa-1,3-dien-1-yl)ethyl]pyrimidine?
The InChIKey is SBNDIHWFSLLYMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O/c1-4-19-14-9-13(17-10-18-14)15(3,16)12-8-6-5-7-11(12)2/h5-6,8-11H,4,7H2,1-3H3.
What are the key properties of 4-ethoxy-6-[1-fluoro-1-(6-methylcyclohexa-1,3-dien-1-yl)ethyl]pyrimidine?
4-ethoxy-6-[1-fluoro-1-(6-methylcyclohexa-1,3-dien-1-yl)ethyl]pyrimidine has a molecular weight of 262.33 g/mol, XLogP of 3.58, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-6-[1-fluoro-1-(6-methylcyclohexa-1,3-dien-1-yl)ethyl]pyrimidine is sourced from PubChem (CID 163953667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).