2-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]acetic acid

C7H6F3N3O2 — CID 84686372

IUPAC2-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]acetic acid
SMILESNc1ncc(CC(=O)O)c(C(F)(F)F)n1
InChIInChI=1S/C7H6F3N3O2/c8-7(9,10)5-3(1-4(14)15)2-12-6(11)13-5/h2H,1H2,(H,14,15)(H2,11,12,13)
InChIKeyUJMYFCFDCJCAAM-UHFFFAOYSA-N
MW221.14 g/mol
LogP0.70
Rot. Bonds2

About 2-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]acetic acid

2-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]acetic acid (PubChem CID 84686372) has the molecular formula C7H6F3N3O2 and a molecular weight of 221.14 g/mol. Its IUPAC name is 2-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]acetic acid.

Molecular Properties

Compound Name2-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]acetic acid
PubChem CID84686372
Molecular FormulaC7H6F3N3O2
Molecular Weight221.14 g/mol
Exact Mass221.04
IUPAC Name2-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]acetic acid
SMILESNc1ncc(CC(=O)O)c(C(F)(F)F)n1
InChIInChI=1S/C7H6F3N3O2/c8-7(9,10)5-3(1-4(14)15)2-12-6(11)13-5/h2H,1H2,(H,14,15)(H2,11,12,13)
InChIKeyUJMYFCFDCJCAAM-UHFFFAOYSA-N
XLogP0.70
TPSA89.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.14
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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-Aminopyrimidin-5-yl)-2,2-difluoroacetic acid
CID 89619261
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-[2-[(1-Methylpiperidin-4-yl)amino]-4-(trifluoromethyl)pyrimidin-5-yl]acetic acid
CID 175375907
2-[2-Amino-4-(trifluoromethyl)pyrimidin-5-yl]ethanol
CID 10679819
2-(2,4-Difluoropyrimidin-5-yl)acetic acid
CID 55268296
2,2-Difluoro-2-(pyrimidin-5-yl)acetic acid
CID 62490682

Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]acetic acid?
The IUPAC name of 2-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]acetic acid (CID 84686372) is 2-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]acetic acid.
What is the SMILES notation for 2-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]acetic acid?
The canonical SMILES for 2-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]acetic acid is Nc1ncc(CC(=O)O)c(C(F)(F)F)n1.
What is the InChIKey of 2-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]acetic acid?
The InChIKey is UJMYFCFDCJCAAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3N3O2/c8-7(9,10)5-3(1-4(14)15)2-12-6(11)13-5/h2H,1H2,(H,14,15)(H2,11,12,13).
What are the key properties of 2-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]acetic acid?
2-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]acetic acid has a molecular weight of 221.14 g/mol, XLogP of 0.70, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]acetic acid is sourced from PubChem (CID 84686372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).