methyl 2-[4-(2-fluorophenyl)-6-methylpyrimidin-2-yl]acetate

C14H13FN2O2 — CID 116895174

IUPACmethyl 2-[4-(2-fluorophenyl)-6-methylpyrimidin-2-yl]acetate
SMILESCOC(=O)Cc1nc(C)cc(-c2ccccc2F)n1
InChIInChI=1S/C14H13FN2O2/c1-9-7-12(10-5-3-4-6-11(10)15)17-13(16-9)8-14(18)19-2/h3-7H,8H2,1-2H3
InChIKeySLWHEKSSUFJONP-UHFFFAOYSA-N
MW260.27 g/mol
LogP2.31
Rot. Bonds3

About methyl 2-[4-(2-fluorophenyl)-6-methylpyrimidin-2-yl]acetate

methyl 2-[4-(2-fluorophenyl)-6-methylpyrimidin-2-yl]acetate (PubChem CID 116895174) has the molecular formula C14H13FN2O2 and a molecular weight of 260.27 g/mol. Its IUPAC name is methyl 2-[4-(2-fluorophenyl)-6-methylpyrimidin-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-(2-fluorophenyl)-6-methylpyrimidin-2-yl]acetate
PubChem CID116895174
Molecular FormulaC14H13FN2O2
Molecular Weight260.27 g/mol
Exact Mass260.10
IUPAC Namemethyl 2-[4-(2-fluorophenyl)-6-methylpyrimidin-2-yl]acetate
SMILESCOC(=O)Cc1nc(C)cc(-c2ccccc2F)n1
InChIInChI=1S/C14H13FN2O2/c1-9-7-12(10-5-3-4-6-11(10)15)17-13(16-9)8-14(18)19-2/h3-7H,8H2,1-2H3
InChIKeySLWHEKSSUFJONP-UHFFFAOYSA-N
XLogP2.31
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.27
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(4-methyl-6-thiophen-2-ylpyrimidin-2-yl)acetate
CID 116895161
2-[4-(2-fluorophenyl)-6-methylpyrimidin-2-yl]acetonitrile
CID 116895064
2-amino-2-[4-(2-fluorophenyl)-6-methylpyrimidin-2-yl]acetic acid
CID 116895761
methyl 2-(4-fluoro-6-methyl-2-pyridinyl)acetate
CID 131168247
2,6-bis(2-fluorophenyl)pyridine-4-carboxylic acid
CID 46313699
methyl 2-(2-fluorophenyl)-4-methoxyquinoline-7-carboxylate
CID 169130532
methyl 2-[2-(2-fluorophenyl)benzimidazol-1-yl]acetate
CID 17002230
methyl 2-(5-fluoro-6-methoxy-2-pyridinyl)acetate
CID 133097041
ethyl 6-(2-fluorophenyl)-2-methyl-4-phenylpyridine-3-carboxylate
CID 132563026
methyl 2-[[5-(2-fluorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetate
CID 7770670
methyl 2-[2-[(2-fluorophenyl)methyl]-1,3-thiazol-4-yl]acetate
CID 79016822
2-[4-(2-fluorophenyl)-6-methylpyrimidin-2-yl]butan-1-amine
CID 116896424

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(2-fluorophenyl)-6-methylpyrimidin-2-yl]acetate?
The IUPAC name of methyl 2-[4-(2-fluorophenyl)-6-methylpyrimidin-2-yl]acetate (CID 116895174) is methyl 2-[4-(2-fluorophenyl)-6-methylpyrimidin-2-yl]acetate.
What is the SMILES notation for methyl 2-[4-(2-fluorophenyl)-6-methylpyrimidin-2-yl]acetate?
The canonical SMILES for methyl 2-[4-(2-fluorophenyl)-6-methylpyrimidin-2-yl]acetate is COC(=O)Cc1nc(C)cc(-c2ccccc2F)n1.
What is the InChIKey of methyl 2-[4-(2-fluorophenyl)-6-methylpyrimidin-2-yl]acetate?
The InChIKey is SLWHEKSSUFJONP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O2/c1-9-7-12(10-5-3-4-6-11(10)15)17-13(16-9)8-14(18)19-2/h3-7H,8H2,1-2H3.
What are the key properties of methyl 2-[4-(2-fluorophenyl)-6-methylpyrimidin-2-yl]acetate?
methyl 2-[4-(2-fluorophenyl)-6-methylpyrimidin-2-yl]acetate has a molecular weight of 260.27 g/mol, XLogP of 2.31, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(2-fluorophenyl)-6-methylpyrimidin-2-yl]acetate is sourced from PubChem (CID 116895174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).