2-[(4-methoxy-6-methylpyrimidin-2-yl)-(2,2,2-trifluoroethyl)amino]acetic acid

C10H12F3N3O3 — CID 112634552

IUPAC2-[(4-methoxy-6-methylpyrimidin-2-yl)-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCOc1cc(C)nc(N(CC(=O)O)CC(F)(F)F)n1
InChIInChI=1S/C10H12F3N3O3/c1-6-3-7(19-2)15-9(14-6)16(4-8(17)18)5-10(11,12)13/h3H,4-5H2,1-2H3,(H,17,18)
InChIKeyAGYOQNUTTQXFJF-UHFFFAOYSA-N
MW279.22 g/mol
LogP1.25
Rot. Bonds5

About 2-[(4-methoxy-6-methylpyrimidin-2-yl)-(2,2,2-trifluoroethyl)amino]acetic acid

2-[(4-methoxy-6-methylpyrimidin-2-yl)-(2,2,2-trifluoroethyl)amino]acetic acid (PubChem CID 112634552) has the molecular formula C10H12F3N3O3 and a molecular weight of 279.22 g/mol. Its IUPAC name is 2-[(4-methoxy-6-methylpyrimidin-2-yl)-(2,2,2-trifluoroethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(4-methoxy-6-methylpyrimidin-2-yl)-(2,2,2-trifluoroethyl)amino]acetic acid
PubChem CID112634552
Molecular FormulaC10H12F3N3O3
Molecular Weight279.22 g/mol
Exact Mass279.08
IUPAC Name2-[(4-methoxy-6-methylpyrimidin-2-yl)-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCOc1cc(C)nc(N(CC(=O)O)CC(F)(F)F)n1
InChIInChI=1S/C10H12F3N3O3/c1-6-3-7(19-2)15-9(14-6)16(4-8(17)18)5-10(11,12)13/h3H,4-5H2,1-2H3,(H,17,18)
InChIKeyAGYOQNUTTQXFJF-UHFFFAOYSA-N
XLogP1.25
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.22
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methoxy-6-methylpyrimidin-2-yl)-N-methylacetamide
CID 911086
N,N-diethyl-4-methoxy-6-methylpyrimidin-2-amine
CID 13789821
[2-cyclopropyl-6-(trifluoromethyl)pyrimidin-4-yl] N,N-dimethylcarbamate
CID 2730324
Ethyl-(4-methoxy-6-methylpyrimidin-2-yl)cyanamide
CID 6457592
methyl (2S)-2-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-3-methylbutanoate
CID 851070
[2-(diethylamino)-6-methylpyrimidin-4-yl] N,N-dimethylcarbamate
CID 54163373
2-(Dimethylamino)-6-methylpyrimidin-4-yl diethylcarbamate
CID 76327438
2,4-Dimethoxy-6-(trifluoromethyl)pyrimidine
CID 21732779
4-(difluoromethoxy)-N-ethyl-6-methyl-2-pyrimidinamine
CID 759816
[2-(diethylamino)-6-methylpyrimidin-4-yl] N,N-diethylcarbamate
CID 76316536
(2-methoxy-6-methylpyrimidin-4-yl) N,N-dimethylcarbamate
CID 76320254
(2,6-dimethylpyrimidin-4-yl) N,N-dimethylcarbamate
CID 76331132

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxy-6-methylpyrimidin-2-yl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The IUPAC name of 2-[(4-methoxy-6-methylpyrimidin-2-yl)-(2,2,2-trifluoroethyl)amino]acetic acid (CID 112634552) is 2-[(4-methoxy-6-methylpyrimidin-2-yl)-(2,2,2-trifluoroethyl)amino]acetic acid.
What is the SMILES notation for 2-[(4-methoxy-6-methylpyrimidin-2-yl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The canonical SMILES for 2-[(4-methoxy-6-methylpyrimidin-2-yl)-(2,2,2-trifluoroethyl)amino]acetic acid is COc1cc(C)nc(N(CC(=O)O)CC(F)(F)F)n1.
What is the InChIKey of 2-[(4-methoxy-6-methylpyrimidin-2-yl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The InChIKey is AGYOQNUTTQXFJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3O3/c1-6-3-7(19-2)15-9(14-6)16(4-8(17)18)5-10(11,12)13/h3H,4-5H2,1-2H3,(H,17,18).
What are the key properties of 2-[(4-methoxy-6-methylpyrimidin-2-yl)-(2,2,2-trifluoroethyl)amino]acetic acid?
2-[(4-methoxy-6-methylpyrimidin-2-yl)-(2,2,2-trifluoroethyl)amino]acetic acid has a molecular weight of 279.22 g/mol, XLogP of 1.25, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxy-6-methylpyrimidin-2-yl)-(2,2,2-trifluoroethyl)amino]acetic acid is sourced from PubChem (CID 112634552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).