2-[4-methoxy-6-(trifluoromethyl)pyrimidin-5-yl]acetic acid

C8H7F3N2O3 — CID 105497396

IUPAC2-[4-methoxy-6-(trifluoromethyl)pyrimidin-5-yl]acetic acid
SMILESCOc1ncnc(C(F)(F)F)c1CC(=O)O
InChIInChI=1S/C8H7F3N2O3/c1-16-7-4(2-5(14)15)6(8(9,10)11)12-3-13-7/h3H,2H2,1H3,(H,14,15)
InChIKeyMAFOSTDJWUVUMJ-UHFFFAOYSA-N
MW236.15 g/mol
LogP1.13
Rot. Bonds3

About 2-[4-methoxy-6-(trifluoromethyl)pyrimidin-5-yl]acetic acid

2-[4-methoxy-6-(trifluoromethyl)pyrimidin-5-yl]acetic acid (PubChem CID 105497396) has the molecular formula C8H7F3N2O3 and a molecular weight of 236.15 g/mol. Its IUPAC name is 2-[4-methoxy-6-(trifluoromethyl)pyrimidin-5-yl]acetic acid.

Molecular Properties

Compound Name2-[4-methoxy-6-(trifluoromethyl)pyrimidin-5-yl]acetic acid
PubChem CID105497396
Molecular FormulaC8H7F3N2O3
Molecular Weight236.15 g/mol
Exact Mass236.04
IUPAC Name2-[4-methoxy-6-(trifluoromethyl)pyrimidin-5-yl]acetic acid
SMILESCOc1ncnc(C(F)(F)F)c1CC(=O)O
InChIInChI=1S/C8H7F3N2O3/c1-16-7-4(2-5(14)15)6(8(9,10)11)12-3-13-7/h3H,2H2,1H3,(H,14,15)
InChIKeyMAFOSTDJWUVUMJ-UHFFFAOYSA-N
XLogP1.13
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.15
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-cyclopentyl-6-methoxypyrimidin-5-yl)acetic acid
CID 105497676
2-[3-(difluoromethyl)-5-methoxy-2-(trifluoromethyl)-4-pyridinyl]acetic acid
CID 133099443
2-[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-5-yl]acetic acid
CID 136758159
2-(4-iodo-2-methoxy-3-pyridinyl)acetic acid
CID 166790016
2-[4-(aminomethyl)-5-(difluoromethyl)-2-methoxy-3-pyridinyl]acetic acid
CID 133085256
2-[2-chloro-6-methoxy-4-(trifluoromethyl)phenyl]acetic acid
CID 117424974
2-(3,5-dichloro-2-methoxy-4-pyridinyl)acetic acid
CID 121279026
2-[4-iodo-5-methoxy-2-(trifluoromethoxy)-3-pyridinyl]acetic acid
CID 134680637
2-[6-(difluoromethyl)-5-methoxy-2-(trifluoromethyl)-3-pyridinyl]acetic acid
CID 118820536
2-[5-(bromomethyl)-4-(trifluoromethoxy)-6-(trifluoromethyl)-3-pyridinyl]acetic acid
CID 134663717
2-[5-amino-3-(trifluoromethoxy)-2-(trifluoromethyl)-4-pyridinyl]acetic acid
CID 133087681
(4-methoxypyrimidin-5-yl)-[4-(trifluoromethyl)pyrimidin-5-yl]methanol
CID 19702800

Frequently Asked Questions

What is the IUPAC name of 2-[4-methoxy-6-(trifluoromethyl)pyrimidin-5-yl]acetic acid?
The IUPAC name of 2-[4-methoxy-6-(trifluoromethyl)pyrimidin-5-yl]acetic acid (CID 105497396) is 2-[4-methoxy-6-(trifluoromethyl)pyrimidin-5-yl]acetic acid.
What is the SMILES notation for 2-[4-methoxy-6-(trifluoromethyl)pyrimidin-5-yl]acetic acid?
The canonical SMILES for 2-[4-methoxy-6-(trifluoromethyl)pyrimidin-5-yl]acetic acid is COc1ncnc(C(F)(F)F)c1CC(=O)O.
What is the InChIKey of 2-[4-methoxy-6-(trifluoromethyl)pyrimidin-5-yl]acetic acid?
The InChIKey is MAFOSTDJWUVUMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3N2O3/c1-16-7-4(2-5(14)15)6(8(9,10)11)12-3-13-7/h3H,2H2,1H3,(H,14,15).
What are the key properties of 2-[4-methoxy-6-(trifluoromethyl)pyrimidin-5-yl]acetic acid?
2-[4-methoxy-6-(trifluoromethyl)pyrimidin-5-yl]acetic acid has a molecular weight of 236.15 g/mol, XLogP of 1.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methoxy-6-(trifluoromethyl)pyrimidin-5-yl]acetic acid is sourced from PubChem (CID 105497396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).