2-(3-fluorophenyl)-4-methoxypyrimidine

C11H9FN2O — CID 58166154

IUPAC2-(3-fluorophenyl)-4-methoxypyrimidine
SMILESCOc1ccnc(-c2cccc(F)c2)n1
InChIInChI=1S/C11H9FN2O/c1-15-10-5-6-13-11(14-10)8-3-2-4-9(12)7-8/h2-7H,1H3
InChIKeyGMSQOLIAGJTXJQ-UHFFFAOYSA-N
MW204.20 g/mol
LogP2.29
Rot. Bonds2

About 2-(3-fluorophenyl)-4-methoxypyrimidine

2-(3-fluorophenyl)-4-methoxypyrimidine (PubChem CID 58166154) has the molecular formula C11H9FN2O and a molecular weight of 204.20 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-4-methoxypyrimidine.

Molecular Properties

Compound Name2-(3-fluorophenyl)-4-methoxypyrimidine
PubChem CID58166154
Molecular FormulaC11H9FN2O
Molecular Weight204.20 g/mol
Exact Mass204.07
IUPAC Name2-(3-fluorophenyl)-4-methoxypyrimidine
SMILESCOc1ccnc(-c2cccc(F)c2)n1
InChIInChI=1S/C11H9FN2O/c1-15-10-5-6-13-11(14-10)8-3-2-4-9(12)7-8/h2-7H,1H3
InChIKeyGMSQOLIAGJTXJQ-UHFFFAOYSA-N
XLogP2.29
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.20
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4,5-Dimethoxy-2-phenylpyrimidine
CID 2767862
4,6-Dimethoxy-N-[3-(trifluoromethyl)-2-pyridinyl]-2-pyrimidinamine
CID 138755794
4,5-Dimethoxy-2-[3-(trifluoromethyl)phenyl]pyrimidine
CID 1472604
2-(4-Methoxyphenyl)pyrimidine
CID 10943178
US9205085, Msx-201
CID 58757235
(Z)-3-fluoro-2-[(4-pyrimidin-2-ylphenoxy)methyl]prop-2-en-1-amine
CID 146417859
(E)-3-fluoro-2-[(4-pyrimidin-2-ylphenoxy)methyl]prop-2-en-1-amine
CID 146427600
Mls000737170
CID 259159
2-(3-Methoxyphenyl)pyrimidine
CID 12456154
US9205085, Msx-200
CID 58757230
2-(2-methoxyphenyl)-N-methylpyrimidin-4-amine
CID 3233159
N-[(4-fluorophenyl)methyl]-1-(6-methoxypyrimidin-4-yl)-N-methylpiperidin-4-amine
CID 118190339

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-4-methoxypyrimidine?
The IUPAC name of 2-(3-fluorophenyl)-4-methoxypyrimidine (CID 58166154) is 2-(3-fluorophenyl)-4-methoxypyrimidine.
What is the SMILES notation for 2-(3-fluorophenyl)-4-methoxypyrimidine?
The canonical SMILES for 2-(3-fluorophenyl)-4-methoxypyrimidine is COc1ccnc(-c2cccc(F)c2)n1.
What is the InChIKey of 2-(3-fluorophenyl)-4-methoxypyrimidine?
The InChIKey is GMSQOLIAGJTXJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN2O/c1-15-10-5-6-13-11(14-10)8-3-2-4-9(12)7-8/h2-7H,1H3.
What are the key properties of 2-(3-fluorophenyl)-4-methoxypyrimidine?
2-(3-fluorophenyl)-4-methoxypyrimidine has a molecular weight of 204.20 g/mol, XLogP of 2.29, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-4-methoxypyrimidine is sourced from PubChem (CID 58166154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).