1-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-4-imidazol-1-ylpiperidine-4-carboxylic acid

C15H19FN6O2 — CID 56888769

IUPAC1-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-4-imidazol-1-ylpiperidine-4-carboxylic acid
SMILESCN(C)c1nc(N2CCC(C(=O)O)(n3ccnc3)CC2)ncc1F
InChIInChI=1S/C15H19FN6O2/c1-20(2)12-11(16)9-18-14(19-12)21-6-3-15(4-7-21,13(23)24)22-8-5-17-10-22/h5,8-10H,3-4,6-7H2,1-2H3,(H,23,24)
InChIKeyFIRJYFYFDBUTSM-UHFFFAOYSA-N
MW334.36 g/mol
LogP0.96
Rot. Bonds4

About 1-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-4-imidazol-1-ylpiperidine-4-carboxylic acid

1-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-4-imidazol-1-ylpiperidine-4-carboxylic acid (PubChem CID 56888769) has the molecular formula C15H19FN6O2 and a molecular weight of 334.36 g/mol. Its IUPAC name is 1-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-4-imidazol-1-ylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-4-imidazol-1-ylpiperidine-4-carboxylic acid
PubChem CID56888769
Molecular FormulaC15H19FN6O2
Molecular Weight334.36 g/mol
Exact Mass334.16
IUPAC Name1-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-4-imidazol-1-ylpiperidine-4-carboxylic acid
SMILESCN(C)c1nc(N2CCC(C(=O)O)(n3ccnc3)CC2)ncc1F
InChIInChI=1S/C15H19FN6O2/c1-20(2)12-11(16)9-18-14(19-12)21-6-3-15(4-7-21,13(23)24)22-8-5-17-10-22/h5,8-10H,3-4,6-7H2,1-2H3,(H,23,24)
InChIKeyFIRJYFYFDBUTSM-UHFFFAOYSA-N
XLogP0.96
TPSA87.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.36
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-(6-(1H-imidazol-1-yl)pyrimidin-4-yl)piperidine-4-carboxylic acid
CID 71778750
Methyl 1-[5-fluoro-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxylate
CID 168823421
1-[5-Fluoro-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxylic acid
CID 168823461
1-[5-Fluoro-4-(2-methylimidazol-1-yl)pyrimidin-2-yl]piperidine-4-carboxylic acid
CID 172581439
1-(5-fluoropyrimidin-2-yl)-4-(1H-imidazol-1-yl)piperidine-4-carboxylic acid
CID 56910367
1-[5-fluoro-4-(methylamino)pyrimidin-2-yl]-4-(2-methyl-1H-imidazol-1-yl)piperidine-4-carboxylic acid
CID 56912531
1-[5-fluoro-4-(methylamino)pyrimidin-2-yl]-4-(1H-imidazol-1-yl)piperidine-4-carboxylic acid
CID 56912571
1-[5-Fluoro-4-(methylamino)pyrimidin-2-yl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid
CID 70731285
1-[6-(2-Methylimidazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxylic acid
CID 168823424
Methyl 1-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxylate
CID 168823428
1-[4-(2-Methylimidazol-1-yl)pyrimidin-2-yl]piperidine-4-carboxylic acid
CID 172581404
4-(2-Chloro-7-methyl-8-oxopurin-9-yl)-1-methylpiperidine-4-carboxylic acid
CID 175736519

Frequently Asked Questions

What is the IUPAC name of 1-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-4-imidazol-1-ylpiperidine-4-carboxylic acid?
The IUPAC name of 1-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-4-imidazol-1-ylpiperidine-4-carboxylic acid (CID 56888769) is 1-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-4-imidazol-1-ylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-4-imidazol-1-ylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-4-imidazol-1-ylpiperidine-4-carboxylic acid is CN(C)c1nc(N2CCC(C(=O)O)(n3ccnc3)CC2)ncc1F.
What is the InChIKey of 1-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-4-imidazol-1-ylpiperidine-4-carboxylic acid?
The InChIKey is FIRJYFYFDBUTSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN6O2/c1-20(2)12-11(16)9-18-14(19-12)21-6-3-15(4-7-21,13(23)24)22-8-5-17-10-22/h5,8-10H,3-4,6-7H2,1-2H3,(H,23,24).
What are the key properties of 1-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-4-imidazol-1-ylpiperidine-4-carboxylic acid?
1-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-4-imidazol-1-ylpiperidine-4-carboxylic acid has a molecular weight of 334.36 g/mol, XLogP of 0.96, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-4-imidazol-1-ylpiperidine-4-carboxylic acid is sourced from PubChem (CID 56888769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).