1-[6-(2-fluoroanilino)-2-methylpyrimidin-4-yl]piperidine-4-carboxylic acid

C17H19FN4O2 — CID 113193622

IUPAC1-[6-(2-fluoroanilino)-2-methylpyrimidin-4-yl]piperidine-4-carboxylic acid
SMILESCc1nc(Nc2ccccc2F)cc(N2CCC(C(=O)O)CC2)n1
InChIInChI=1S/C17H19FN4O2/c1-11-19-15(21-14-5-3-2-4-13(14)18)10-16(20-11)22-8-6-12(7-9-22)17(23)24/h2-5,10,12H,6-9H2,1H3,(H,23,24)(H,19,20,21)
InChIKeyKJABRSRLWNLKQX-UHFFFAOYSA-N
MW330.36 g/mol
LogP2.97
Rot. Bonds4

About 1-[6-(2-fluoroanilino)-2-methylpyrimidin-4-yl]piperidine-4-carboxylic acid

1-[6-(2-fluoroanilino)-2-methylpyrimidin-4-yl]piperidine-4-carboxylic acid (PubChem CID 113193622) has the molecular formula C17H19FN4O2 and a molecular weight of 330.36 g/mol. Its IUPAC name is 1-[6-(2-fluoroanilino)-2-methylpyrimidin-4-yl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[6-(2-fluoroanilino)-2-methylpyrimidin-4-yl]piperidine-4-carboxylic acid
PubChem CID113193622
Molecular FormulaC17H19FN4O2
Molecular Weight330.36 g/mol
Exact Mass330.15
IUPAC Name1-[6-(2-fluoroanilino)-2-methylpyrimidin-4-yl]piperidine-4-carboxylic acid
SMILESCc1nc(Nc2ccccc2F)cc(N2CCC(C(=O)O)CC2)n1
InChIInChI=1S/C17H19FN4O2/c1-11-19-15(21-14-5-3-2-4-13(14)18)10-16(20-11)22-8-6-12(7-9-22)17(23)24/h2-5,10,12H,6-9H2,1H3,(H,23,24)(H,19,20,21)
InChIKeyKJABRSRLWNLKQX-UHFFFAOYSA-N
XLogP2.97
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[6-(2-fluoroanilino)-2-methylpyrimidin-4-yl]piperidine-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(2-fluoroanilino)-6-methylpyrimidin-4-yl]piperidine-4-carboxylic acid
CID 113194176
1-[6-(2,4-dimethylanilino)-2-methylpyrimidin-4-yl]piperidine-4-carboxylic acid
CID 113193605
2-[[2-methyl-6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]amino]benzoic acid
CID 113194821
1-[6-(2-methoxy-5-methylanilino)-2-methylpyrimidin-4-yl]piperidine-4-carboxylic acid
CID 113193637
1-[6-(4-methoxyanilino)-2-methylpyrimidin-4-yl]piperidine-4-carboxylic acid
CID 99975814
1-[6-(3-chloro-4-methylanilino)-2-methylpyrimidin-4-yl]piperidine-4-carboxylic acid
CID 113193628
N-(2-fluorophenyl)-6-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methylpyrimidin-4-amine
CID 112875375
N-(2,4-difluorophenyl)-2-methyl-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 112868570
1-(2-fluorophenyl)-3-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]urea
CID 50748155
1-(2,6-dimethylpyrimidin-4-yl)-N-(2-fluorophenyl)piperidin-4-amine
CID 133330878
methyl 2-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]benzoate
CID 112868921
6-(azepan-1-yl)-N-(2,6-difluorophenyl)-2-methylpyrimidin-4-amine
CID 112876851

Frequently Asked Questions

What is the IUPAC name of 1-[6-(2-fluoroanilino)-2-methylpyrimidin-4-yl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[6-(2-fluoroanilino)-2-methylpyrimidin-4-yl]piperidine-4-carboxylic acid (CID 113193622) is 1-[6-(2-fluoroanilino)-2-methylpyrimidin-4-yl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[6-(2-fluoroanilino)-2-methylpyrimidin-4-yl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[6-(2-fluoroanilino)-2-methylpyrimidin-4-yl]piperidine-4-carboxylic acid is Cc1nc(Nc2ccccc2F)cc(N2CCC(C(=O)O)CC2)n1.
What is the InChIKey of 1-[6-(2-fluoroanilino)-2-methylpyrimidin-4-yl]piperidine-4-carboxylic acid?
The InChIKey is KJABRSRLWNLKQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4O2/c1-11-19-15(21-14-5-3-2-4-13(14)18)10-16(20-11)22-8-6-12(7-9-22)17(23)24/h2-5,10,12H,6-9H2,1H3,(H,23,24)(H,19,20,21).
What are the key properties of 1-[6-(2-fluoroanilino)-2-methylpyrimidin-4-yl]piperidine-4-carboxylic acid?
1-[6-(2-fluoroanilino)-2-methylpyrimidin-4-yl]piperidine-4-carboxylic acid has a molecular weight of 330.36 g/mol, XLogP of 2.97, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(2-fluoroanilino)-2-methylpyrimidin-4-yl]piperidine-4-carboxylic acid is sourced from PubChem (CID 113193622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).