ethyl 2-[2-amino-4-chloro-6-(trifluoromethyl)pyrimidin-5-yl]acetate

C9H9ClF3N3O2 — CID 58278401

IUPACethyl 2-[2-amino-4-chloro-6-(trifluoromethyl)pyrimidin-5-yl]acetate
SMILESCCOC(=O)Cc1c(Cl)nc(N)nc1C(F)(F)F
InChIInChI=1S/C9H9ClF3N3O2/c1-2-18-5(17)3-4-6(9(11,12)13)15-8(14)16-7(4)10/h2-3H2,1H3,(H2,14,15,16)
InChIKeyJVBMSIRCXCXIBQ-UHFFFAOYSA-N
MW283.64 g/mol
LogP1.84
Rot. Bonds3

About ethyl 2-[2-amino-4-chloro-6-(trifluoromethyl)pyrimidin-5-yl]acetate

ethyl 2-[2-amino-4-chloro-6-(trifluoromethyl)pyrimidin-5-yl]acetate (PubChem CID 58278401) has the molecular formula C9H9ClF3N3O2 and a molecular weight of 283.64 g/mol. Its IUPAC name is ethyl 2-[2-amino-4-chloro-6-(trifluoromethyl)pyrimidin-5-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-amino-4-chloro-6-(trifluoromethyl)pyrimidin-5-yl]acetate
PubChem CID58278401
Molecular FormulaC9H9ClF3N3O2
Molecular Weight283.64 g/mol
Exact Mass283.03
IUPAC Nameethyl 2-[2-amino-4-chloro-6-(trifluoromethyl)pyrimidin-5-yl]acetate
SMILESCCOC(=O)Cc1c(Cl)nc(N)nc1C(F)(F)F
InChIInChI=1S/C9H9ClF3N3O2/c1-2-18-5(17)3-4-6(9(11,12)13)15-8(14)16-7(4)10/h2-3H2,1H3,(H2,14,15,16)
InChIKeyJVBMSIRCXCXIBQ-UHFFFAOYSA-N
XLogP1.84
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.64
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[4-amino-2-(trifluoromethyl)-3-pyridinyl]acetate
CID 133098143
ethyl 2-[3-chloro-5-(difluoromethyl)-2-(trifluoromethyl)-4-pyridinyl]acetate
CID 134662366
2-[4-chloro-2-methyl-6-(trifluoromethyl)pyrimidin-5-yl]acetic acid
CID 18983895
ethyl 2-[2-chloro-4-(difluoromethyl)-6-fluoro-3-pyridinyl]acetate
CID 134661969
ethyl 2-[4-(aminomethyl)-6-(difluoromethyl)-2-(trifluoromethyl)-3-pyridinyl]acetate
CID 133084760
ethyl 2-[4-chloro-2-(trifluoromethyl)phenyl]acetate
CID 53419399
ethyl 2-[2-chloro-4-(difluoromethyl)-6-methyl-3-pyridinyl]acetate
CID 134674976
ethyl 2-[5-chloro-2-(trifluoromethyl)-4-pyridinyl]acetate
CID 118168634
ethyl 2-[4-(difluoromethyl)-2-(trifluoromethyl)-3-pyridinyl]acetate
CID 171029498
ethyl 2-[2-amino-4-chloro-6-[(1,5-dimethylpyrazol-3-yl)-methylamino]pyrimidin-5-yl]acetate
CID 87196363
ethyl 2-[5-amino-6-(trifluoromethyl)-3-pyridinyl]acetate
CID 133098329
ethyl 2-[5-iodo-6-(trifluoromethyl)-2-pyridinyl]acetate
CID 133096647

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-amino-4-chloro-6-(trifluoromethyl)pyrimidin-5-yl]acetate?
The IUPAC name of ethyl 2-[2-amino-4-chloro-6-(trifluoromethyl)pyrimidin-5-yl]acetate (CID 58278401) is ethyl 2-[2-amino-4-chloro-6-(trifluoromethyl)pyrimidin-5-yl]acetate.
What is the SMILES notation for ethyl 2-[2-amino-4-chloro-6-(trifluoromethyl)pyrimidin-5-yl]acetate?
The canonical SMILES for ethyl 2-[2-amino-4-chloro-6-(trifluoromethyl)pyrimidin-5-yl]acetate is CCOC(=O)Cc1c(Cl)nc(N)nc1C(F)(F)F.
What is the InChIKey of ethyl 2-[2-amino-4-chloro-6-(trifluoromethyl)pyrimidin-5-yl]acetate?
The InChIKey is JVBMSIRCXCXIBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClF3N3O2/c1-2-18-5(17)3-4-6(9(11,12)13)15-8(14)16-7(4)10/h2-3H2,1H3,(H2,14,15,16).
What are the key properties of ethyl 2-[2-amino-4-chloro-6-(trifluoromethyl)pyrimidin-5-yl]acetate?
ethyl 2-[2-amino-4-chloro-6-(trifluoromethyl)pyrimidin-5-yl]acetate has a molecular weight of 283.64 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-amino-4-chloro-6-(trifluoromethyl)pyrimidin-5-yl]acetate is sourced from PubChem (CID 58278401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).