4-fluoro-6-[4-(2-methoxyethyl)phenoxy]pyrimidine

C13H13FN2O2 — CID 113305637

IUPAC4-fluoro-6-[4-(2-methoxyethyl)phenoxy]pyrimidine
SMILESCOCCc1ccc(Oc2cc(F)ncn2)cc1
InChIInChI=1S/C13H13FN2O2/c1-17-7-6-10-2-4-11(5-3-10)18-13-8-12(14)15-9-16-13/h2-5,8-9H,6-7H2,1H3
InChIKeyMTYSRZMWRPABFZ-UHFFFAOYSA-N
MW248.26 g/mol
LogP2.60
Rot. Bonds5

About 4-fluoro-6-[4-(2-methoxyethyl)phenoxy]pyrimidine

4-fluoro-6-[4-(2-methoxyethyl)phenoxy]pyrimidine (PubChem CID 113305637) has the molecular formula C13H13FN2O2 and a molecular weight of 248.26 g/mol. Its IUPAC name is 4-fluoro-6-[4-(2-methoxyethyl)phenoxy]pyrimidine.

Molecular Properties

Compound Name4-fluoro-6-[4-(2-methoxyethyl)phenoxy]pyrimidine
PubChem CID113305637
Molecular FormulaC13H13FN2O2
Molecular Weight248.26 g/mol
Exact Mass248.10
IUPAC Name4-fluoro-6-[4-(2-methoxyethyl)phenoxy]pyrimidine
SMILESCOCCc1ccc(Oc2cc(F)ncn2)cc1
InChIInChI=1S/C13H13FN2O2/c1-17-7-6-10-2-4-11(5-3-10)18-13-8-12(14)15-9-16-13/h2-5,8-9H,6-7H2,1H3
InChIKeyMTYSRZMWRPABFZ-UHFFFAOYSA-N
XLogP2.60
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.26
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(2-methoxyethyl)phenoxy]-5-methylpyridin-4-amine
CID 83267065
5-bromo-2-[4-(2-methoxyethyl)phenoxy]pyridine
CID 61373244
[5-chloro-2-[4-(2-methoxyethyl)phenoxy]-4-pyridinyl]methanol
CID 114920629
6-[4-(2-methoxyethyl)phenoxy]pyridine-3-carbonitrile
CID 43244931
4-[4-(2-methoxyethyl)phenoxy]pyrimidin-5-amine
CID 79918869
6-[4-(2-methoxyethyl)phenoxy]pyridine-3-carbaldehyde
CID 80631991
4-(3-bromo-4-fluorophenoxy)-6-fluoropyrimidine
CID 83231218
[3-(6-fluoropyrimidin-4-yl)oxyphenyl]methanol
CID 115416170
(1S)-1-[5-[4-(2-methoxyethyl)phenoxy]-2-pyridinyl]ethanol
CID 83124503
4-fluoro-6-(3-fluorophenoxy)pyrimidine
CID 115416111
1-(2-methoxyethyl)-4-[3-(4-phenoxyphenoxy)phenoxy]benzene
CID 145141271
4-chloro-5-(chloromethyl)-6-[4-(2-methoxyethyl)phenoxy]pyrimidine
CID 107087636

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-6-[4-(2-methoxyethyl)phenoxy]pyrimidine?
The IUPAC name of 4-fluoro-6-[4-(2-methoxyethyl)phenoxy]pyrimidine (CID 113305637) is 4-fluoro-6-[4-(2-methoxyethyl)phenoxy]pyrimidine.
What is the SMILES notation for 4-fluoro-6-[4-(2-methoxyethyl)phenoxy]pyrimidine?
The canonical SMILES for 4-fluoro-6-[4-(2-methoxyethyl)phenoxy]pyrimidine is COCCc1ccc(Oc2cc(F)ncn2)cc1.
What is the InChIKey of 4-fluoro-6-[4-(2-methoxyethyl)phenoxy]pyrimidine?
The InChIKey is MTYSRZMWRPABFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O2/c1-17-7-6-10-2-4-11(5-3-10)18-13-8-12(14)15-9-16-13/h2-5,8-9H,6-7H2,1H3.
What are the key properties of 4-fluoro-6-[4-(2-methoxyethyl)phenoxy]pyrimidine?
4-fluoro-6-[4-(2-methoxyethyl)phenoxy]pyrimidine has a molecular weight of 248.26 g/mol, XLogP of 2.60, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-6-[4-(2-methoxyethyl)phenoxy]pyrimidine is sourced from PubChem (CID 113305637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).