4-but-2-ynoxy-6-(1-fluoro-1-phenylethyl)pyrimidine

C16H15FN2O — CID 20748455

IUPAC4-but-2-ynoxy-6-(1-fluoro-1-phenylethyl)pyrimidine
SMILESCC#CCOc1cc(C(C)(F)c2ccccc2)ncn1
InChIInChI=1S/C16H15FN2O/c1-3-4-10-20-15-11-14(18-12-19-15)16(2,17)13-8-6-5-7-9-13/h5-9,11-12H,10H2,1-2H3
InChIKeyOUHILPFSWZJZPL-UHFFFAOYSA-N
MW270.31 g/mol
LogP3.11
Rot. Bonds4

About 4-but-2-ynoxy-6-(1-fluoro-1-phenylethyl)pyrimidine

4-but-2-ynoxy-6-(1-fluoro-1-phenylethyl)pyrimidine (PubChem CID 20748455) has the molecular formula C16H15FN2O and a molecular weight of 270.31 g/mol. Its IUPAC name is 4-but-2-ynoxy-6-(1-fluoro-1-phenylethyl)pyrimidine.

Molecular Properties

Compound Name4-but-2-ynoxy-6-(1-fluoro-1-phenylethyl)pyrimidine
PubChem CID20748455
Molecular FormulaC16H15FN2O
Molecular Weight270.31 g/mol
Exact Mass270.12
IUPAC Name4-but-2-ynoxy-6-(1-fluoro-1-phenylethyl)pyrimidine
SMILESCC#CCOc1cc(C(C)(F)c2ccccc2)ncn1
InChIInChI=1S/C16H15FN2O/c1-3-4-10-20-15-11-14(18-12-19-15)16(2,17)13-8-6-5-7-9-13/h5-9,11-12H,10H2,1-2H3
InChIKeyOUHILPFSWZJZPL-UHFFFAOYSA-N
XLogP3.11
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 53.11
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

Fenazaquin
CID 86356
Enecadin
CID 6433114
4-(4-Fluorophenyl)-2-methyl-6-(5-piperidinopentyloxy)pyrimidine hydrochloride
CID 9800750
4-(2-(4-(4-[18F]Fluoro-butyl)-phenyl)ethoxy) quinazoline
CID 11151464
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
4-Methyl-2-phenyl-6-(3-pyrrolidin-1-ylpropoxy)pyrimidine
CID 118723001

Frequently Asked Questions

What is the IUPAC name of 4-but-2-ynoxy-6-(1-fluoro-1-phenylethyl)pyrimidine?
The IUPAC name of 4-but-2-ynoxy-6-(1-fluoro-1-phenylethyl)pyrimidine (CID 20748455) is 4-but-2-ynoxy-6-(1-fluoro-1-phenylethyl)pyrimidine.
What is the SMILES notation for 4-but-2-ynoxy-6-(1-fluoro-1-phenylethyl)pyrimidine?
The canonical SMILES for 4-but-2-ynoxy-6-(1-fluoro-1-phenylethyl)pyrimidine is CC#CCOc1cc(C(C)(F)c2ccccc2)ncn1.
What is the InChIKey of 4-but-2-ynoxy-6-(1-fluoro-1-phenylethyl)pyrimidine?
The InChIKey is OUHILPFSWZJZPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O/c1-3-4-10-20-15-11-14(18-12-19-15)16(2,17)13-8-6-5-7-9-13/h5-9,11-12H,10H2,1-2H3.
What are the key properties of 4-but-2-ynoxy-6-(1-fluoro-1-phenylethyl)pyrimidine?
4-but-2-ynoxy-6-(1-fluoro-1-phenylethyl)pyrimidine has a molecular weight of 270.31 g/mol, XLogP of 3.11, 4 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-(1-fluoro-1-phenylethyl)pyrimidine is sourced from PubChem (CID 20748455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).