2,2-difluoro-2-[5-(2-methylpropyl)pyrimidin-2-yl]acetic acid

C10H12F2N2O2 — CID 84726244

IUPAC2,2-difluoro-2-[5-(2-methylpropyl)pyrimidin-2-yl]acetic acid
SMILESCC(C)Cc1cnc(C(F)(F)C(=O)O)nc1
InChIInChI=1S/C10H12F2N2O2/c1-6(2)3-7-4-13-8(14-5-7)10(11,12)9(15)16/h4-6H,3H2,1-2H3,(H,15,16)
InChIKeyUFSMGYZMXPLVRT-UHFFFAOYSA-N
MW230.21 g/mol
LogP1.85
Rot. Bonds4

About 2,2-difluoro-2-[5-(2-methylpropyl)pyrimidin-2-yl]acetic acid

2,2-difluoro-2-[5-(2-methylpropyl)pyrimidin-2-yl]acetic acid (PubChem CID 84726244) has the molecular formula C10H12F2N2O2 and a molecular weight of 230.21 g/mol. Its IUPAC name is 2,2-difluoro-2-[5-(2-methylpropyl)pyrimidin-2-yl]acetic acid.

Molecular Properties

Compound Name2,2-difluoro-2-[5-(2-methylpropyl)pyrimidin-2-yl]acetic acid
PubChem CID84726244
Molecular FormulaC10H12F2N2O2
Molecular Weight230.21 g/mol
Exact Mass230.09
IUPAC Name2,2-difluoro-2-[5-(2-methylpropyl)pyrimidin-2-yl]acetic acid
SMILESCC(C)Cc1cnc(C(F)(F)C(=O)O)nc1
InChIInChI=1S/C10H12F2N2O2/c1-6(2)3-7-4-13-8(14-5-7)10(11,12)9(15)16/h4-6H,3H2,1-2H3,(H,15,16)
InChIKeyUFSMGYZMXPLVRT-UHFFFAOYSA-N
XLogP1.85
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.21
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-Pentylpyrimidine-2-carboxylic acid
CID 13660585
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
2-(2-Tert-butylpyrimidin-5-yl)-3,3,3-trifluoropropanoic acid
CID 20060711
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-(2-Tert-butyl-4-fluoropyrimidin-5-yl)-3-methylbutanoic acid
CID 21298136
Methyl 3-[2-(trifluoromethyl)-5-pyrimidinyl]propanoate
CID 21936211
5-(3-Methylbutyl)-2-(trifluoromethyl)pyrimidine
CID 58449999
2-(2,2-Difluoro-1,3-dioxan-5-yl)-5-propylpyrimidine
CID 59876005
5-[(2S)-butan-2-yl]-2-(trifluoromethyl)pyrimidine
CID 66695258
5-Propyl-2-(trifluoromethyl)pyrimidine
CID 66695268

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-2-[5-(2-methylpropyl)pyrimidin-2-yl]acetic acid?
The IUPAC name of 2,2-difluoro-2-[5-(2-methylpropyl)pyrimidin-2-yl]acetic acid (CID 84726244) is 2,2-difluoro-2-[5-(2-methylpropyl)pyrimidin-2-yl]acetic acid.
What is the SMILES notation for 2,2-difluoro-2-[5-(2-methylpropyl)pyrimidin-2-yl]acetic acid?
The canonical SMILES for 2,2-difluoro-2-[5-(2-methylpropyl)pyrimidin-2-yl]acetic acid is CC(C)Cc1cnc(C(F)(F)C(=O)O)nc1.
What is the InChIKey of 2,2-difluoro-2-[5-(2-methylpropyl)pyrimidin-2-yl]acetic acid?
The InChIKey is UFSMGYZMXPLVRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2N2O2/c1-6(2)3-7-4-13-8(14-5-7)10(11,12)9(15)16/h4-6H,3H2,1-2H3,(H,15,16).
What are the key properties of 2,2-difluoro-2-[5-(2-methylpropyl)pyrimidin-2-yl]acetic acid?
2,2-difluoro-2-[5-(2-methylpropyl)pyrimidin-2-yl]acetic acid has a molecular weight of 230.21 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-2-[5-(2-methylpropyl)pyrimidin-2-yl]acetic acid is sourced from PubChem (CID 84726244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).