5-fluoro-2-[(4-fluorophenyl)methoxy]-4-methylpyrimidine

C12H10F2N2O — CID 71273030

IUPAC5-fluoro-2-[(4-fluorophenyl)methoxy]-4-methylpyrimidine
SMILESCc1nc(OCc2ccc(F)cc2)ncc1F
InChIInChI=1S/C12H10F2N2O/c1-8-11(14)6-15-12(16-8)17-7-9-2-4-10(13)5-3-9/h2-6H,7H2,1H3
InChIKeyOAMYCFFUFKHIRY-UHFFFAOYSA-N
MW236.22 g/mol
LogP2.64
Rot. Bonds3

About 5-fluoro-2-[(4-fluorophenyl)methoxy]-4-methylpyrimidine

5-fluoro-2-[(4-fluorophenyl)methoxy]-4-methylpyrimidine (PubChem CID 71273030) has the molecular formula C12H10F2N2O and a molecular weight of 236.22 g/mol. Its IUPAC name is 5-fluoro-2-[(4-fluorophenyl)methoxy]-4-methylpyrimidine.

Molecular Properties

Compound Name5-fluoro-2-[(4-fluorophenyl)methoxy]-4-methylpyrimidine
PubChem CID71273030
Molecular FormulaC12H10F2N2O
Molecular Weight236.22 g/mol
Exact Mass236.08
IUPAC Name5-fluoro-2-[(4-fluorophenyl)methoxy]-4-methylpyrimidine
SMILESCc1nc(OCc2ccc(F)cc2)ncc1F
InChIInChI=1S/C12H10F2N2O/c1-8-11(14)6-15-12(16-8)17-7-9-2-4-10(13)5-3-9/h2-6H,7H2,1H3
InChIKeyOAMYCFFUFKHIRY-UHFFFAOYSA-N
XLogP2.64
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.22
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-[[3-(Methoxymethyl)phenyl]methyl]pyrimidine-2,4-diamine
CID 14999843
US9205085, Msx-208
CID 58757234
2-(Benzyloxy)-5-bromopyrimidine
CID 42553055
2-(Phenylmethoxy)-4-pyrimidinamine
CID 308510
Benzyl 2-chloro-4-(trifluoromethyl)pyrimidine-5-carboxylate
CID 2735989
2-[(4-Fluorophenyl)methoxy]pyrimidin-4-amine
CID 123194935
2-(Pyridin-3-ylmethoxy)-4-(trifluoromethyl)pyrimidine
CID 172433428
4-[1-[(2R)-2-(2,4-difluorophenyl)oxiran-2-yl]ethenyl]-5-fluoropyrimidine
CID 72736661
4-[(1S)-1-[(2R)-2-(2,4-difluorophenyl)oxiran-2-yl]ethyl]-5-fluoropyrimidine
CID 72736662
2-[(2,6-Difluorophenyl)methoxy]-5-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]pyrimidine
CID 71105444
2-[(4-Fluorophenyl)methoxy]pyrimidine
CID 126953834
2-Benzyloxy-4-chloro-5-(trifluoromethyl)pyrimidine
CID 118498172

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[(4-fluorophenyl)methoxy]-4-methylpyrimidine?
The IUPAC name of 5-fluoro-2-[(4-fluorophenyl)methoxy]-4-methylpyrimidine (CID 71273030) is 5-fluoro-2-[(4-fluorophenyl)methoxy]-4-methylpyrimidine.
What is the SMILES notation for 5-fluoro-2-[(4-fluorophenyl)methoxy]-4-methylpyrimidine?
The canonical SMILES for 5-fluoro-2-[(4-fluorophenyl)methoxy]-4-methylpyrimidine is Cc1nc(OCc2ccc(F)cc2)ncc1F.
What is the InChIKey of 5-fluoro-2-[(4-fluorophenyl)methoxy]-4-methylpyrimidine?
The InChIKey is OAMYCFFUFKHIRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F2N2O/c1-8-11(14)6-15-12(16-8)17-7-9-2-4-10(13)5-3-9/h2-6H,7H2,1H3.
What are the key properties of 5-fluoro-2-[(4-fluorophenyl)methoxy]-4-methylpyrimidine?
5-fluoro-2-[(4-fluorophenyl)methoxy]-4-methylpyrimidine has a molecular weight of 236.22 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[(4-fluorophenyl)methoxy]-4-methylpyrimidine is sourced from PubChem (CID 71273030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).