4-(2,3-difluorophenyl)-6-(4-fluorobut-2-ynoxy)pyrimidine

C14H9F3N2O — CID 22599732

IUPAC4-(2,3-difluorophenyl)-6-(4-fluorobut-2-ynoxy)pyrimidine
SMILESFCC#CCOc1cc(-c2cccc(F)c2F)ncn1
InChIInChI=1S/C14H9F3N2O/c15-6-1-2-7-20-13-8-12(18-9-19-13)10-4-3-5-11(16)14(10)17/h3-5,8-9H,6-7H2
InChIKeyDGXUSJYTBNKQEO-UHFFFAOYSA-N
MW278.23 g/mol
LogP2.77
Rot. Bonds3

About 4-(2,3-difluorophenyl)-6-(4-fluorobut-2-ynoxy)pyrimidine

4-(2,3-difluorophenyl)-6-(4-fluorobut-2-ynoxy)pyrimidine (PubChem CID 22599732) has the molecular formula C14H9F3N2O and a molecular weight of 278.23 g/mol. Its IUPAC name is 4-(2,3-difluorophenyl)-6-(4-fluorobut-2-ynoxy)pyrimidine.

Molecular Properties

Compound Name4-(2,3-difluorophenyl)-6-(4-fluorobut-2-ynoxy)pyrimidine
PubChem CID22599732
Molecular FormulaC14H9F3N2O
Molecular Weight278.23 g/mol
Exact Mass278.07
IUPAC Name4-(2,3-difluorophenyl)-6-(4-fluorobut-2-ynoxy)pyrimidine
SMILESFCC#CCOc1cc(-c2cccc(F)c2F)ncn1
InChIInChI=1S/C14H9F3N2O/c15-6-1-2-7-20-13-8-12(18-9-19-13)10-4-3-5-11(16)14(10)17/h3-5,8-9H,6-7H2
InChIKeyDGXUSJYTBNKQEO-UHFFFAOYSA-N
XLogP2.77
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.23
LogP ≤ 52.77
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-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-pyrrolidin-1-ylpropoxy)pyrimidine
CID 118723001
N,N-dimethyl-3-(6-methyl-2-phenylpyrimidin-4-yl)oxypropan-1-amine
CID 118723002

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-difluorophenyl)-6-(4-fluorobut-2-ynoxy)pyrimidine?
The IUPAC name of 4-(2,3-difluorophenyl)-6-(4-fluorobut-2-ynoxy)pyrimidine (CID 22599732) is 4-(2,3-difluorophenyl)-6-(4-fluorobut-2-ynoxy)pyrimidine.
What is the SMILES notation for 4-(2,3-difluorophenyl)-6-(4-fluorobut-2-ynoxy)pyrimidine?
The canonical SMILES for 4-(2,3-difluorophenyl)-6-(4-fluorobut-2-ynoxy)pyrimidine is FCC#CCOc1cc(-c2cccc(F)c2F)ncn1.
What is the InChIKey of 4-(2,3-difluorophenyl)-6-(4-fluorobut-2-ynoxy)pyrimidine?
The InChIKey is DGXUSJYTBNKQEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F3N2O/c15-6-1-2-7-20-13-8-12(18-9-19-13)10-4-3-5-11(16)14(10)17/h3-5,8-9H,6-7H2.
What are the key properties of 4-(2,3-difluorophenyl)-6-(4-fluorobut-2-ynoxy)pyrimidine?
4-(2,3-difluorophenyl)-6-(4-fluorobut-2-ynoxy)pyrimidine has a molecular weight of 278.23 g/mol, XLogP of 2.77, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-difluorophenyl)-6-(4-fluorobut-2-ynoxy)pyrimidine is sourced from PubChem (CID 22599732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).