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

C8H8F3N3O2 — CID 84698297

IUPACmethyl 2-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]acetate
SMILESCOC(=O)Cc1cnc(N)nc1C(F)(F)F
InChIInChI=1S/C8H8F3N3O2/c1-16-5(15)2-4-3-13-7(12)14-6(4)8(9,10)11/h3H,2H2,1H3,(H2,12,13,14)
InChIKeyQAFMYDLMYGQKJS-UHFFFAOYSA-N
MW235.16 g/mol
LogP0.79
Rot. Bonds2

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

methyl 2-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]acetate (PubChem CID 84698297) has the molecular formula C8H8F3N3O2 and a molecular weight of 235.16 g/mol. Its IUPAC name is methyl 2-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]acetate
PubChem CID84698297
Molecular FormulaC8H8F3N3O2
Molecular Weight235.16 g/mol
Exact Mass235.06
IUPAC Namemethyl 2-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]acetate
SMILESCOC(=O)Cc1cnc(N)nc1C(F)(F)F
InChIInChI=1S/C8H8F3N3O2/c1-16-5(15)2-4-3-13-7(12)14-6(4)8(9,10)11/h3H,2H2,1H3,(H2,12,13,14)
InChIKeyQAFMYDLMYGQKJS-UHFFFAOYSA-N
XLogP0.79
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.16
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-Ethyl-2-methoxy-4-(trifluoromethyl)pyrimidine
CID 21600911
2-(2-Methoxy-4-methylpyrimidin-5-yl)acetic acid
CID 82601254
2-(4-Ethyl-2-methoxypyrimidin-5-yl)acetic acid
CID 82657594
2-[4-(Trifluoromethyl)pyrimidin-5-yl]acetic acid
CID 82610181
2-[2-Chloro-4-(trifluoromethyl)pyrimidin-5-yl]acetic acid
CID 82621938
2-[2-Methoxy-4-(trifluoromethyl)pyrimidin-5-yl]acetaldehyde
CID 83889193
Ethyl 2-(2-aminopyrimidin-5-yl)-2,2-difluoroacetate
CID 89619110
2-[2-(Tetrazol-1-yl)-4-(trifluoromethyl)pyrimidin-5-yl]acetic acid
CID 89619356
1-[4-(Trifluoromethyl)pyrimidin-5-yl]cyclopropane-1-carboxylic acid
CID 96894476
1-[4-(Difluoromethyl)pyrimidin-5-yl]cyclopropane-1-carboxylic acid
CID 171833040
2-Methyl-2-[4-(trifluoromethyl)pyrimidin-5-yl]propanal
CID 174424298
[3,3,3-Trifluoro-2-(4-methylpyrimidin-5-yl)propyl] formate
CID 174624877

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]acetate?
The IUPAC name of methyl 2-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]acetate (CID 84698297) is methyl 2-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]acetate.
What is the SMILES notation for methyl 2-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]acetate?
The canonical SMILES for methyl 2-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]acetate is COC(=O)Cc1cnc(N)nc1C(F)(F)F.
What is the InChIKey of methyl 2-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]acetate?
The InChIKey is QAFMYDLMYGQKJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3N3O2/c1-16-5(15)2-4-3-13-7(12)14-6(4)8(9,10)11/h3H,2H2,1H3,(H2,12,13,14).
What are the key properties of methyl 2-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]acetate?
methyl 2-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]acetate has a molecular weight of 235.16 g/mol, XLogP of 0.79, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]acetate is sourced from PubChem (CID 84698297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).