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

C10H11F3N2O3 — CID 82666837

IUPAC2-[2-methoxy-4-(trifluoromethyl)pyrimidin-5-yl]butanoic acid
SMILESCCC(C(=O)O)c1cnc(OC)nc1C(F)(F)F
InChIInChI=1S/C10H11F3N2O3/c1-3-5(8(16)17)6-4-14-9(18-2)15-7(6)10(11,12)13/h4-5H,3H2,1-2H3,(H,16,17)
InChIKeyNMCWLXOWIUXMSY-UHFFFAOYSA-N
MW264.20 g/mol
LogP2.08
Rot. Bonds4

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

2-[2-methoxy-4-(trifluoromethyl)pyrimidin-5-yl]butanoic acid (PubChem CID 82666837) has the molecular formula C10H11F3N2O3 and a molecular weight of 264.20 g/mol. Its IUPAC name is 2-[2-methoxy-4-(trifluoromethyl)pyrimidin-5-yl]butanoic acid.

Molecular Properties

Compound Name2-[2-methoxy-4-(trifluoromethyl)pyrimidin-5-yl]butanoic acid
PubChem CID82666837
Molecular FormulaC10H11F3N2O3
Molecular Weight264.20 g/mol
Exact Mass264.07
IUPAC Name2-[2-methoxy-4-(trifluoromethyl)pyrimidin-5-yl]butanoic acid
SMILESCCC(C(=O)O)c1cnc(OC)nc1C(F)(F)F
InChIInChI=1S/C10H11F3N2O3/c1-3-5(8(16)17)6-4-14-9(18-2)15-7(6)10(11,12)13/h4-5H,3H2,1-2H3,(H,16,17)
InChIKeyNMCWLXOWIUXMSY-UHFFFAOYSA-N
XLogP2.08
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.20
LogP ≤ 52.08
H-Bond Donors ≤ 51
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
3-Methyl-2-[2-(trifluoromethyl)pyrimidin-5-yl]butanoic acid
CID 14718748
3,3-Dimethyl-2-[2-(trifluoromethyl)pyrimidin-5-yl]pentanoic acid
CID 20060707
3,3-Dimethyl-2-[2-(trifluoromethyl)pyrimidin-5-yl]butanoic acid
CID 20060749
2-(1-Methylcyclopropyl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]acetic acid
CID 20060770
2-Fluoroethyl 2-(5-propylpyrimidin-4-yl)acetate
CID 59382475
2-(5-Fluoropyrimidin-4-yl)propanoic acid
CID 67382628
(2S)-3,3-dimethyl-2-[2-(trifluoromethyl)pyrimidin-5-yl]butanoic acid
CID 67927986
(2S)-3-methyl-2-[2-(trifluoromethyl)pyrimidin-5-yl]butanoic acid
CID 67928003
4-[4-Methyl-2-(trifluoromethyl)pyrimidin-5-yl]butanoic acid
CID 68841341
2-[4-(Trifluoromethyl)pyrimidin-5-yl]acetic acid
CID 82610181

Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxy-4-(trifluoromethyl)pyrimidin-5-yl]butanoic acid?
The IUPAC name of 2-[2-methoxy-4-(trifluoromethyl)pyrimidin-5-yl]butanoic acid (CID 82666837) is 2-[2-methoxy-4-(trifluoromethyl)pyrimidin-5-yl]butanoic acid.
What is the SMILES notation for 2-[2-methoxy-4-(trifluoromethyl)pyrimidin-5-yl]butanoic acid?
The canonical SMILES for 2-[2-methoxy-4-(trifluoromethyl)pyrimidin-5-yl]butanoic acid is CCC(C(=O)O)c1cnc(OC)nc1C(F)(F)F.
What is the InChIKey of 2-[2-methoxy-4-(trifluoromethyl)pyrimidin-5-yl]butanoic acid?
The InChIKey is NMCWLXOWIUXMSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O3/c1-3-5(8(16)17)6-4-14-9(18-2)15-7(6)10(11,12)13/h4-5H,3H2,1-2H3,(H,16,17).
What are the key properties of 2-[2-methoxy-4-(trifluoromethyl)pyrimidin-5-yl]butanoic acid?
2-[2-methoxy-4-(trifluoromethyl)pyrimidin-5-yl]butanoic acid has a molecular weight of 264.20 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxy-4-(trifluoromethyl)pyrimidin-5-yl]butanoic acid is sourced from PubChem (CID 82666837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).