6-(3-fluoro-4-propan-2-yloxyphenyl)pyrimidine-4-carboxylic acid

C14H13FN2O3 — CID 95478846

IUPAC6-(3-fluoro-4-propan-2-yloxyphenyl)pyrimidine-4-carboxylic acid
SMILESCC(C)Oc1ccc(-c2cc(C(=O)O)ncn2)cc1F
InChIInChI=1S/C14H13FN2O3/c1-8(2)20-13-4-3-9(5-10(13)15)11-6-12(14(18)19)17-7-16-11/h3-8H,1-2H3,(H,18,19)
InChIKeyLFPWGYMIVCKWMP-UHFFFAOYSA-N
MW276.27 g/mol
LogP2.77
Rot. Bonds4

About 6-(3-fluoro-4-propan-2-yloxyphenyl)pyrimidine-4-carboxylic acid

6-(3-fluoro-4-propan-2-yloxyphenyl)pyrimidine-4-carboxylic acid (PubChem CID 95478846) has the molecular formula C14H13FN2O3 and a molecular weight of 276.27 g/mol. Its IUPAC name is 6-(3-fluoro-4-propan-2-yloxyphenyl)pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name6-(3-fluoro-4-propan-2-yloxyphenyl)pyrimidine-4-carboxylic acid
PubChem CID95478846
Molecular FormulaC14H13FN2O3
Molecular Weight276.27 g/mol
Exact Mass276.09
IUPAC Name6-(3-fluoro-4-propan-2-yloxyphenyl)pyrimidine-4-carboxylic acid
SMILESCC(C)Oc1ccc(-c2cc(C(=O)O)ncn2)cc1F
InChIInChI=1S/C14H13FN2O3/c1-8(2)20-13-4-3-9(5-10(13)15)11-6-12(14(18)19)17-7-16-11/h3-8H,1-2H3,(H,18,19)
InChIKeyLFPWGYMIVCKWMP-UHFFFAOYSA-N
XLogP2.77
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.27
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3-chloro-4-ethoxyphenyl)pyrimidine-4-carboxylic acid
CID 95482943
6-[4-chloro-3-(2-methylpropoxy)phenyl]pyrimidine-4-carboxylic acid
CID 71282758
3-amino-5-(3-fluoro-4-propan-2-yloxyphenyl)-1H-pyrazole-4-carboxylic acid
CID 98022153
6-(3,5-difluorophenyl)pyrimidine-4-carboxylic acid
CID 117000642
6-[4-[(2-methylpropan-2-yl)oxy]phenyl]pyrimidine-4-carboxylic acid
CID 82306310
6-[4-(trifluoromethoxy)phenyl]pyrimidine-4-carboxylic acid
CID 148732120
3-(3-fluoro-4-propan-2-yloxyphenyl)-1,2-oxazol-5-amine
CID 82476360
6-(2-methoxy-5-propan-2-ylphenyl)pyrimidine-4-carboxylic acid
CID 82306293
2-(3-fluoro-4-methoxyphenyl)pyridine-4-carboxylic acid
CID 53223378
3-fluoro-4-propan-2-yloxybenzenesulfonic acid
CID 82475780
6-[3-chloro-4-(oxetan-3-yloxy)phenyl]pyrimidine-4-carboxylic acid
CID 71282615
2-amino-1-(3-fluoro-4-propan-2-yloxyphenyl)propan-1-one
CID 82287555

Frequently Asked Questions

What is the IUPAC name of 6-(3-fluoro-4-propan-2-yloxyphenyl)pyrimidine-4-carboxylic acid?
The IUPAC name of 6-(3-fluoro-4-propan-2-yloxyphenyl)pyrimidine-4-carboxylic acid (CID 95478846) is 6-(3-fluoro-4-propan-2-yloxyphenyl)pyrimidine-4-carboxylic acid.
What is the SMILES notation for 6-(3-fluoro-4-propan-2-yloxyphenyl)pyrimidine-4-carboxylic acid?
The canonical SMILES for 6-(3-fluoro-4-propan-2-yloxyphenyl)pyrimidine-4-carboxylic acid is CC(C)Oc1ccc(-c2cc(C(=O)O)ncn2)cc1F.
What is the InChIKey of 6-(3-fluoro-4-propan-2-yloxyphenyl)pyrimidine-4-carboxylic acid?
The InChIKey is LFPWGYMIVCKWMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O3/c1-8(2)20-13-4-3-9(5-10(13)15)11-6-12(14(18)19)17-7-16-11/h3-8H,1-2H3,(H,18,19).
What are the key properties of 6-(3-fluoro-4-propan-2-yloxyphenyl)pyrimidine-4-carboxylic acid?
6-(3-fluoro-4-propan-2-yloxyphenyl)pyrimidine-4-carboxylic acid has a molecular weight of 276.27 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-fluoro-4-propan-2-yloxyphenyl)pyrimidine-4-carboxylic acid is sourced from PubChem (CID 95478846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).