4-but-2-ynoxy-6-(3-fluorophenyl)pyrimidine

C14H11FN2O — CID 22599720

IUPAC4-but-2-ynoxy-6-(3-fluorophenyl)pyrimidine
SMILESCC#CCOc1cc(-c2cccc(F)c2)ncn1
InChIInChI=1S/C14H11FN2O/c1-2-3-7-18-14-9-13(16-10-17-14)11-5-4-6-12(15)8-11/h4-6,8-10H,7H2,1H3
InChIKeyZYUHEQYJDUKKLU-UHFFFAOYSA-N
MW242.25 g/mol
LogP2.68
Rot. Bonds3

About 4-but-2-ynoxy-6-(3-fluorophenyl)pyrimidine

4-but-2-ynoxy-6-(3-fluorophenyl)pyrimidine (PubChem CID 22599720) has the molecular formula C14H11FN2O and a molecular weight of 242.25 g/mol. Its IUPAC name is 4-but-2-ynoxy-6-(3-fluorophenyl)pyrimidine.

Molecular Properties

Compound Name4-but-2-ynoxy-6-(3-fluorophenyl)pyrimidine
PubChem CID22599720
Molecular FormulaC14H11FN2O
Molecular Weight242.25 g/mol
Exact Mass242.09
IUPAC Name4-but-2-ynoxy-6-(3-fluorophenyl)pyrimidine
SMILESCC#CCOc1cc(-c2cccc(F)c2)ncn1
InChIInChI=1S/C14H11FN2O/c1-2-3-7-18-14-9-13(16-10-17-14)11-5-4-6-12(15)8-11/h4-6,8-10H,7H2,1H3
InChIKeyZYUHEQYJDUKKLU-UHFFFAOYSA-N
XLogP2.68
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.25
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Enecadin
CID 6433114
4-(4-Fluorophenyl)-2-methyl-6-(5-piperidinopentyloxy)pyrimidine hydrochloride
CID 9800750
4-Methoxyquinazoline
CID 27831
4-(2-(4-(4-[18F]Fluoro-butyl)-phenyl)ethoxy) quinazoline
CID 11151464
4-(Cyclohexyloxy)quinazoline
CID 44591868
2,4-Diphenyl-6-(3-pyrrolidin-1-ylpropoxy)pyrimidine
CID 118723352
4-Ethoxyquinazoline
CID 589708
4-Methyl-2-phenyl-6-(3-piperidin-1-ylpropoxy)pyrimidine
CID 21760780
4-[2-(4-Butylphenyl)ethoxy]quinazoline
CID 44441988
4-Methyl-6-[3-(4-methylpiperidin-1-yl)propoxy]-2-phenylpyrimidine
CID 118722990
4-[3-(3,5-Dimethylpiperidin-1-yl)propoxy]-6-methyl-2-phenylpyrimidine
CID 118722991
4-Methyl-2-phenyl-6-[3-(2,2,6,6-tetramethylpiperidin-1-yl)propoxy]pyrimidine
CID 118722992

Frequently Asked Questions

What is the IUPAC name of 4-but-2-ynoxy-6-(3-fluorophenyl)pyrimidine?
The IUPAC name of 4-but-2-ynoxy-6-(3-fluorophenyl)pyrimidine (CID 22599720) is 4-but-2-ynoxy-6-(3-fluorophenyl)pyrimidine.
What is the SMILES notation for 4-but-2-ynoxy-6-(3-fluorophenyl)pyrimidine?
The canonical SMILES for 4-but-2-ynoxy-6-(3-fluorophenyl)pyrimidine is CC#CCOc1cc(-c2cccc(F)c2)ncn1.
What is the InChIKey of 4-but-2-ynoxy-6-(3-fluorophenyl)pyrimidine?
The InChIKey is ZYUHEQYJDUKKLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2O/c1-2-3-7-18-14-9-13(16-10-17-14)11-5-4-6-12(15)8-11/h4-6,8-10H,7H2,1H3.
What are the key properties of 4-but-2-ynoxy-6-(3-fluorophenyl)pyrimidine?
4-but-2-ynoxy-6-(3-fluorophenyl)pyrimidine has a molecular weight of 242.25 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-but-2-ynoxy-6-(3-fluorophenyl)pyrimidine is sourced from PubChem (CID 22599720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).