1-[5-fluoro-4-(methylamino)pyrimidin-2-yl]-4-(2-methylimidazol-1-yl)piperidine-4-carboxylic acid

C15H19FN6O2 — CID 56912531

IUPAC1-[5-fluoro-4-(methylamino)pyrimidin-2-yl]-4-(2-methylimidazol-1-yl)piperidine-4-carboxylic acid
SMILESCNc1nc(N2CCC(C(=O)O)(n3ccnc3C)CC2)ncc1F
InChIInChI=1S/C15H19FN6O2/c1-10-18-5-8-22(10)15(13(23)24)3-6-21(7-4-15)14-19-9-11(16)12(17-2)20-14/h5,8-9H,3-4,6-7H2,1-2H3,(H,23,24)(H,17,19,20)
InChIKeySVWFGGOWUFTGFZ-UHFFFAOYSA-N
MW334.36 g/mol
LogP1.24
Rot. Bonds4

About 1-[5-fluoro-4-(methylamino)pyrimidin-2-yl]-4-(2-methylimidazol-1-yl)piperidine-4-carboxylic acid

1-[5-fluoro-4-(methylamino)pyrimidin-2-yl]-4-(2-methylimidazol-1-yl)piperidine-4-carboxylic acid (PubChem CID 56912531) has the molecular formula C15H19FN6O2 and a molecular weight of 334.36 g/mol. Its IUPAC name is 1-[5-fluoro-4-(methylamino)pyrimidin-2-yl]-4-(2-methylimidazol-1-yl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[5-fluoro-4-(methylamino)pyrimidin-2-yl]-4-(2-methylimidazol-1-yl)piperidine-4-carboxylic acid
PubChem CID56912531
Molecular FormulaC15H19FN6O2
Molecular Weight334.36 g/mol
Exact Mass334.16
IUPAC Name1-[5-fluoro-4-(methylamino)pyrimidin-2-yl]-4-(2-methylimidazol-1-yl)piperidine-4-carboxylic acid
SMILESCNc1nc(N2CCC(C(=O)O)(n3ccnc3C)CC2)ncc1F
InChIInChI=1S/C15H19FN6O2/c1-10-18-5-8-22(10)15(13(23)24)3-6-21(7-4-15)14-19-9-11(16)12(17-2)20-14/h5,8-9H,3-4,6-7H2,1-2H3,(H,23,24)(H,17,19,20)
InChIKeySVWFGGOWUFTGFZ-UHFFFAOYSA-N
XLogP1.24
TPSA96.17 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.36
LogP ≤ 51.24
H-Bond Donors ≤ 52
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-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-4-(1H-imidazol-1-yl)piperidine-4-carboxylic acid
CID 56888769
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-(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
4-Amino-1-[5-(methylamino)pyrimidin-2-yl]piperidine-4-carboxylic acid
CID 146340400
1-[6-(2-Methylimidazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxylic acid
CID 168823424
1-[4-(2-Methylimidazol-1-yl)pyrimidin-2-yl]piperidine-4-carboxylic acid
CID 172581404
Ethyl 1-[5-amino-6-(3-imidazol-1-ylpropylamino)pyrimidin-4-yl]piperidine-4-carboxylate
CID 19142180

Frequently Asked Questions

What is the IUPAC name of 1-[5-fluoro-4-(methylamino)pyrimidin-2-yl]-4-(2-methylimidazol-1-yl)piperidine-4-carboxylic acid?
The IUPAC name of 1-[5-fluoro-4-(methylamino)pyrimidin-2-yl]-4-(2-methylimidazol-1-yl)piperidine-4-carboxylic acid (CID 56912531) is 1-[5-fluoro-4-(methylamino)pyrimidin-2-yl]-4-(2-methylimidazol-1-yl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[5-fluoro-4-(methylamino)pyrimidin-2-yl]-4-(2-methylimidazol-1-yl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-[5-fluoro-4-(methylamino)pyrimidin-2-yl]-4-(2-methylimidazol-1-yl)piperidine-4-carboxylic acid is CNc1nc(N2CCC(C(=O)O)(n3ccnc3C)CC2)ncc1F.
What is the InChIKey of 1-[5-fluoro-4-(methylamino)pyrimidin-2-yl]-4-(2-methylimidazol-1-yl)piperidine-4-carboxylic acid?
The InChIKey is SVWFGGOWUFTGFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN6O2/c1-10-18-5-8-22(10)15(13(23)24)3-6-21(7-4-15)14-19-9-11(16)12(17-2)20-14/h5,8-9H,3-4,6-7H2,1-2H3,(H,23,24)(H,17,19,20).
What are the key properties of 1-[5-fluoro-4-(methylamino)pyrimidin-2-yl]-4-(2-methylimidazol-1-yl)piperidine-4-carboxylic acid?
1-[5-fluoro-4-(methylamino)pyrimidin-2-yl]-4-(2-methylimidazol-1-yl)piperidine-4-carboxylic acid has a molecular weight of 334.36 g/mol, XLogP of 1.24, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-fluoro-4-(methylamino)pyrimidin-2-yl]-4-(2-methylimidazol-1-yl)piperidine-4-carboxylic acid is sourced from PubChem (CID 56912531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).