2-(5-fluoropyrimidin-2-yl)-4-methylpentanoic acid

C10H13FN2O2 — CID 104606815

IUPAC2-(5-fluoropyrimidin-2-yl)-4-methylpentanoic acid
SMILESCC(C)CC(C(=O)O)c1ncc(F)cn1
InChIInChI=1S/C10H13FN2O2/c1-6(2)3-8(10(14)15)9-12-4-7(11)5-13-9/h4-6,8H,3H2,1-2H3,(H,14,15)
InChIKeyWPMLQYXVOPMJMP-UHFFFAOYSA-N
MW212.22 g/mol
LogP1.83
Rot. Bonds4

About 2-(5-fluoropyrimidin-2-yl)-4-methylpentanoic acid

2-(5-fluoropyrimidin-2-yl)-4-methylpentanoic acid (PubChem CID 104606815) has the molecular formula C10H13FN2O2 and a molecular weight of 212.22 g/mol. Its IUPAC name is 2-(5-fluoropyrimidin-2-yl)-4-methylpentanoic acid.

Molecular Properties

Compound Name2-(5-fluoropyrimidin-2-yl)-4-methylpentanoic acid
PubChem CID104606815
Molecular FormulaC10H13FN2O2
Molecular Weight212.22 g/mol
Exact Mass212.10
IUPAC Name2-(5-fluoropyrimidin-2-yl)-4-methylpentanoic acid
SMILESCC(C)CC(C(=O)O)c1ncc(F)cn1
InChIInChI=1S/C10H13FN2O2/c1-6(2)3-8(10(14)15)9-12-4-7(11)5-13-9/h4-6,8H,3H2,1-2H3,(H,14,15)
InChIKeyWPMLQYXVOPMJMP-UHFFFAOYSA-N
XLogP1.83
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.22
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(Pyrimidin-2-yl)piperidine-3-carboxylic acid
CID 4736951
(3S,4S)-1-[(2-cyclohexylpyrimidin-5-yl)methyl]-4-propan-2-ylpyrrolidine-3-carboxylic acid
CID 72910725
(3S,4S)-1-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]-4-propan-2-ylpyrrolidine-3-carboxylic acid
CID 86283799
3-(5-Fluoropyrimidin-2-yl)propanoic acid
CID 131084702
4-(5-Bromopyrimidin-2-yl)butanoic acid
CID 154578298
2-Methyl-3-(pyrimidin-2-YL)propanoic acid
CID 42614418
(5-Fluoropyrimidin-2-yl)acetic acid
CID 57345839
2-[1-(5-Fluoropyrimidin-2-yl)piperidin-4-yl]acetic acid
CID 57962475
1-(5-Fluoropyrimidin-2-yl)piperidine-3-carboxylic acid
CID 60137804
1-(5-Fluoropyrimidin-2-yl)piperidine-4-carboxylic acid
CID 60137806
1-(Pyrimidin-2-yl)cyclopropane-1-carboxylic acid
CID 91663958
1-(5-Fluoropyrimidin-2-yl)-4-methylpiperidine-4-carboxylic acid
CID 104605913

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoropyrimidin-2-yl)-4-methylpentanoic acid?
The IUPAC name of 2-(5-fluoropyrimidin-2-yl)-4-methylpentanoic acid (CID 104606815) is 2-(5-fluoropyrimidin-2-yl)-4-methylpentanoic acid.
What is the SMILES notation for 2-(5-fluoropyrimidin-2-yl)-4-methylpentanoic acid?
The canonical SMILES for 2-(5-fluoropyrimidin-2-yl)-4-methylpentanoic acid is CC(C)CC(C(=O)O)c1ncc(F)cn1.
What is the InChIKey of 2-(5-fluoropyrimidin-2-yl)-4-methylpentanoic acid?
The InChIKey is WPMLQYXVOPMJMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2O2/c1-6(2)3-8(10(14)15)9-12-4-7(11)5-13-9/h4-6,8H,3H2,1-2H3,(H,14,15).
What are the key properties of 2-(5-fluoropyrimidin-2-yl)-4-methylpentanoic acid?
2-(5-fluoropyrimidin-2-yl)-4-methylpentanoic acid has a molecular weight of 212.22 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoropyrimidin-2-yl)-4-methylpentanoic acid is sourced from PubChem (CID 104606815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).