methyl 2-[2-[2-[2-methyl-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetate

C17H17F3N2O2 — CID 71232248

IUPACmethyl 2-[2-[2-[2-methyl-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetate
SMILESCOC(=O)Cc1ccccc1CCc1nc(C)ncc1C(F)(F)F
InChIInChI=1S/C17H17F3N2O2/c1-11-21-10-14(17(18,19)20)15(22-11)8-7-12-5-3-4-6-13(12)9-16(23)24-2/h3-6,10H,7-9H2,1-2H3
InChIKeyKCVWTMXWFYETJD-UHFFFAOYSA-N
MW338.33 g/mol
LogP3.30
Rot. Bonds5

About methyl 2-[2-[2-[2-methyl-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetate

methyl 2-[2-[2-[2-methyl-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetate (PubChem CID 71232248) has the molecular formula C17H17F3N2O2 and a molecular weight of 338.33 g/mol. Its IUPAC name is methyl 2-[2-[2-[2-methyl-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-[2-[2-methyl-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetate
PubChem CID71232248
Molecular FormulaC17H17F3N2O2
Molecular Weight338.33 g/mol
Exact Mass338.12
IUPAC Namemethyl 2-[2-[2-[2-methyl-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetate
SMILESCOC(=O)Cc1ccccc1CCc1nc(C)ncc1C(F)(F)F
InChIInChI=1S/C17H17F3N2O2/c1-11-21-10-14(17(18,19)20)15(22-11)8-7-12-5-3-4-6-13(12)9-16(23)24-2/h3-6,10H,7-9H2,1-2H3
InChIKeyKCVWTMXWFYETJD-UHFFFAOYSA-N
XLogP3.30
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.33
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-(Bis(4-fluorophenyl)methyl)-4-(3-fluorophenyl)pyrimidin-5-yl)acetic acid
CID 16222207
3-(2-(Bis(4-fluorophenyl)methyl)-4-(3-fluorophenyl)pyrimidin-5-yl)propanoic acid
CID 46880941
methyl 2-methyl-2-[4-({2-(1-methylethyl)-7-[3-(trifluoromethyl)pyridin-2-yl]-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-yl}amino)phenyl]propanoate
CID 24784681
2-[4-[3-[[4-(Trifluoromethyl)pyrimidin-2-yl]amino]phenyl]phenyl]acetic acid
CID 118307520
Ethyl 3-[4-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]phenyl]propanoate
CID 118307527
Methyl 2-[3-[3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]phenyl]acetate
CID 129010763
6-[(E)-[pyrimidin-4-yl-[3-(trifluoromethyl)phenyl]methylidene]amino]oxyhexanoic acid
CID 10762387
3-[4-[2-(2-Methoxypyrimidin-4-yl)ethynyl]phenyl]propanoic acid
CID 54757620
8-(4,5-Diphenylpyrimidin-2-yl)oxyoctanoic acid
CID 10340354
Methyl 2-(4-((2-amino-4-methyl-6-(pentylamino)pyrimidin-5-yl)methyl)-3-fluorophenyl)acetate
CID 42613074
Methyl 2-[4-[[2-amino-4-methyl-6-(pentylamino)pyrimidin-5-yl]methyl]phenyl]acetate
CID 42613235
Methyl 2-[4-[[2-amino-4-(butylamino)-6-methylpyrimidin-5-yl]methyl]phenyl]acetate
CID 42613316

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-[2-[2-methyl-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetate?
The IUPAC name of methyl 2-[2-[2-[2-methyl-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetate (CID 71232248) is methyl 2-[2-[2-[2-methyl-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetate.
What is the SMILES notation for methyl 2-[2-[2-[2-methyl-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetate?
The canonical SMILES for methyl 2-[2-[2-[2-methyl-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetate is COC(=O)Cc1ccccc1CCc1nc(C)ncc1C(F)(F)F.
What is the InChIKey of methyl 2-[2-[2-[2-methyl-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetate?
The InChIKey is KCVWTMXWFYETJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N2O2/c1-11-21-10-14(17(18,19)20)15(22-11)8-7-12-5-3-4-6-13(12)9-16(23)24-2/h3-6,10H,7-9H2,1-2H3.
What are the key properties of methyl 2-[2-[2-[2-methyl-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetate?
methyl 2-[2-[2-[2-methyl-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetate has a molecular weight of 338.33 g/mol, XLogP of 3.30, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-[2-[2-methyl-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetate is sourced from PubChem (CID 71232248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).