4-fluoro-6-[(6-methylcyclohex-3-en-1-yl)methoxy]pyrimidine

C12H15FN2O — CID 115416053

IUPAC4-fluoro-6-[(6-methylcyclohex-3-en-1-yl)methoxy]pyrimidine
SMILESCC1CC=CCC1COc1cc(F)ncn1
InChIInChI=1S/C12H15FN2O/c1-9-4-2-3-5-10(9)7-16-12-6-11(13)14-8-15-12/h2-3,6,8-10H,4-5,7H2,1H3
InChIKeyUJPMAEDSTZQLCO-UHFFFAOYSA-N
MW222.26 g/mol
LogP2.60
Rot. Bonds3

About 4-fluoro-6-[(6-methylcyclohex-3-en-1-yl)methoxy]pyrimidine

4-fluoro-6-[(6-methylcyclohex-3-en-1-yl)methoxy]pyrimidine (PubChem CID 115416053) has the molecular formula C12H15FN2O and a molecular weight of 222.26 g/mol. Its IUPAC name is 4-fluoro-6-[(6-methylcyclohex-3-en-1-yl)methoxy]pyrimidine.

Molecular Properties

Compound Name4-fluoro-6-[(6-methylcyclohex-3-en-1-yl)methoxy]pyrimidine
PubChem CID115416053
Molecular FormulaC12H15FN2O
Molecular Weight222.26 g/mol
Exact Mass222.12
IUPAC Name4-fluoro-6-[(6-methylcyclohex-3-en-1-yl)methoxy]pyrimidine
SMILESCC1CC=CCC1COc1cc(F)ncn1
InChIInChI=1S/C12H15FN2O/c1-9-4-2-3-5-10(9)7-16-12-6-11(13)14-8-15-12/h2-3,6,8-10H,4-5,7H2,1H3
InChIKeyUJPMAEDSTZQLCO-UHFFFAOYSA-N
XLogP2.60
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.26
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-6-[(6-methylcyclohex-3-en-1-yl)methoxy]pyrimidine?
The IUPAC name of 4-fluoro-6-[(6-methylcyclohex-3-en-1-yl)methoxy]pyrimidine (CID 115416053) is 4-fluoro-6-[(6-methylcyclohex-3-en-1-yl)methoxy]pyrimidine.
What is the SMILES notation for 4-fluoro-6-[(6-methylcyclohex-3-en-1-yl)methoxy]pyrimidine?
The canonical SMILES for 4-fluoro-6-[(6-methylcyclohex-3-en-1-yl)methoxy]pyrimidine is CC1CC=CCC1COc1cc(F)ncn1.
What is the InChIKey of 4-fluoro-6-[(6-methylcyclohex-3-en-1-yl)methoxy]pyrimidine?
The InChIKey is UJPMAEDSTZQLCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O/c1-9-4-2-3-5-10(9)7-16-12-6-11(13)14-8-15-12/h2-3,6,8-10H,4-5,7H2,1H3.
What are the key properties of 4-fluoro-6-[(6-methylcyclohex-3-en-1-yl)methoxy]pyrimidine?
4-fluoro-6-[(6-methylcyclohex-3-en-1-yl)methoxy]pyrimidine has a molecular weight of 222.26 g/mol, XLogP of 2.60, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-6-[(6-methylcyclohex-3-en-1-yl)methoxy]pyrimidine is sourced from PubChem (CID 115416053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).