1-[5-fluoro-4-(methylamino)pyrimidin-2-yl]-4-imidazol-1-ylpiperidine-4-carboxylic acid

C14H17FN6O2 — CID 56912571

IUPAC1-[5-fluoro-4-(methylamino)pyrimidin-2-yl]-4-imidazol-1-ylpiperidine-4-carboxylic acid
SMILESCNc1nc(N2CCC(C(=O)O)(n3ccnc3)CC2)ncc1F
InChIInChI=1S/C14H17FN6O2/c1-16-11-10(15)8-18-13(19-11)20-5-2-14(3-6-20,12(22)23)21-7-4-17-9-21/h4,7-9H,2-3,5-6H2,1H3,(H,22,23)(H,16,18,19)
InChIKeyVOEVWVRWAYCMGV-UHFFFAOYSA-N
MW320.33 g/mol
LogP0.93
Rot. Bonds4

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

1-[5-fluoro-4-(methylamino)pyrimidin-2-yl]-4-imidazol-1-ylpiperidine-4-carboxylic acid (PubChem CID 56912571) has the molecular formula C14H17FN6O2 and a molecular weight of 320.33 g/mol. Its IUPAC name is 1-[5-fluoro-4-(methylamino)pyrimidin-2-yl]-4-imidazol-1-ylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[5-fluoro-4-(methylamino)pyrimidin-2-yl]-4-imidazol-1-ylpiperidine-4-carboxylic acid
PubChem CID56912571
Molecular FormulaC14H17FN6O2
Molecular Weight320.33 g/mol
Exact Mass320.14
IUPAC Name1-[5-fluoro-4-(methylamino)pyrimidin-2-yl]-4-imidazol-1-ylpiperidine-4-carboxylic acid
SMILESCNc1nc(N2CCC(C(=O)O)(n3ccnc3)CC2)ncc1F
InChIInChI=1S/C14H17FN6O2/c1-16-11-10(15)8-18-13(19-11)20-5-2-14(3-6-20,12(22)23)21-7-4-17-9-21/h4,7-9H,2-3,5-6H2,1H3,(H,22,23)(H,16,18,19)
InChIKeyVOEVWVRWAYCMGV-UHFFFAOYSA-N
XLogP0.93
TPSA96.17 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.33
LogP ≤ 50.93
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-(2-methyl-1H-imidazol-1-yl)piperidine-4-carboxylic acid
CID 56912531
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-imidazol-1-ylpiperidine-4-carboxylic acid?
The IUPAC name of 1-[5-fluoro-4-(methylamino)pyrimidin-2-yl]-4-imidazol-1-ylpiperidine-4-carboxylic acid (CID 56912571) is 1-[5-fluoro-4-(methylamino)pyrimidin-2-yl]-4-imidazol-1-ylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-[5-fluoro-4-(methylamino)pyrimidin-2-yl]-4-imidazol-1-ylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-[5-fluoro-4-(methylamino)pyrimidin-2-yl]-4-imidazol-1-ylpiperidine-4-carboxylic acid is CNc1nc(N2CCC(C(=O)O)(n3ccnc3)CC2)ncc1F.
What is the InChIKey of 1-[5-fluoro-4-(methylamino)pyrimidin-2-yl]-4-imidazol-1-ylpiperidine-4-carboxylic acid?
The InChIKey is VOEVWVRWAYCMGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN6O2/c1-16-11-10(15)8-18-13(19-11)20-5-2-14(3-6-20,12(22)23)21-7-4-17-9-21/h4,7-9H,2-3,5-6H2,1H3,(H,22,23)(H,16,18,19).
What are the key properties of 1-[5-fluoro-4-(methylamino)pyrimidin-2-yl]-4-imidazol-1-ylpiperidine-4-carboxylic acid?
1-[5-fluoro-4-(methylamino)pyrimidin-2-yl]-4-imidazol-1-ylpiperidine-4-carboxylic acid has a molecular weight of 320.33 g/mol, XLogP of 0.93, 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-imidazol-1-ylpiperidine-4-carboxylic acid is sourced from PubChem (CID 56912571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).