4-(5-fluoro-2-methoxyphenyl)pyrimidine

C11H9FN2O — CID 141365926

IUPAC4-(5-fluoro-2-methoxyphenyl)pyrimidine
SMILESCOc1ccc(F)cc1-c1ccncn1
InChIInChI=1S/C11H9FN2O/c1-15-11-3-2-8(12)6-9(11)10-4-5-13-7-14-10/h2-7H,1H3
InChIKeyXZVSYWSHMHKPAU-UHFFFAOYSA-N
MW204.20 g/mol
LogP2.29
Rot. Bonds2

About 4-(5-fluoro-2-methoxyphenyl)pyrimidine

4-(5-fluoro-2-methoxyphenyl)pyrimidine (PubChem CID 141365926) has the molecular formula C11H9FN2O and a molecular weight of 204.20 g/mol. Its IUPAC name is 4-(5-fluoro-2-methoxyphenyl)pyrimidine.

Molecular Properties

Compound Name4-(5-fluoro-2-methoxyphenyl)pyrimidine
PubChem CID141365926
Molecular FormulaC11H9FN2O
Molecular Weight204.20 g/mol
Exact Mass204.07
IUPAC Name4-(5-fluoro-2-methoxyphenyl)pyrimidine
SMILESCOc1ccc(F)cc1-c1ccncn1
InChIInChI=1S/C11H9FN2O/c1-15-11-3-2-8(12)6-9(11)10-4-5-13-7-14-10/h2-7H,1H3
InChIKeyXZVSYWSHMHKPAU-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

methyl 4-fluoro-2-pyrimidin-4-ylbenzoate
CID 155344019
4-(5-fluoro-2-methoxyphenyl)pyridin-3-amine
CID 70663373
4-(5-fluoro-2-methoxyphenyl)-1,3-thiazole
CID 4984858
1-[4-(5-fluoro-2-methoxyphenyl)pyrimidin-2-yl]ethanone
CID 116901449
2-(2-chloroethyl)-4-(5-fluoro-2-methoxyphenyl)pyrimidine
CID 116899336
7-methoxy-1-methyl-4-pyrimidin-4-ylindole
CID 175774096
4-(5-fluoro-2-methoxyphenyl)-6-methylpyrimidin-5-amine
CID 82390103
2-(5-fluoro-2-methoxyphenyl)-1H-imidazole
CID 55254368
6-(5-fluoro-2-methoxyphenyl)pyridin-2-amine
CID 61026023
2-(2,5-dimethoxyphenyl)-4-fluoropyridine
CID 102824456
4-(5-fluoro-2-methoxyphenyl)-1H-pyrimidin-6-one
CID 136769276
4-(5-fluoro-2-methoxyphenyl)imidazole-1,2-diamine
CID 82286848

Frequently Asked Questions

What is the IUPAC name of 4-(5-fluoro-2-methoxyphenyl)pyrimidine?
The IUPAC name of 4-(5-fluoro-2-methoxyphenyl)pyrimidine (CID 141365926) is 4-(5-fluoro-2-methoxyphenyl)pyrimidine.
What is the SMILES notation for 4-(5-fluoro-2-methoxyphenyl)pyrimidine?
The canonical SMILES for 4-(5-fluoro-2-methoxyphenyl)pyrimidine is COc1ccc(F)cc1-c1ccncn1.
What is the InChIKey of 4-(5-fluoro-2-methoxyphenyl)pyrimidine?
The InChIKey is XZVSYWSHMHKPAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN2O/c1-15-11-3-2-8(12)6-9(11)10-4-5-13-7-14-10/h2-7H,1H3.
What are the key properties of 4-(5-fluoro-2-methoxyphenyl)pyrimidine?
4-(5-fluoro-2-methoxyphenyl)pyrimidine 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 4-(5-fluoro-2-methoxyphenyl)pyrimidine is sourced from PubChem (CID 141365926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).