3-amino-1-(5-fluoro-6-methylpyrimidin-4-yl)piperidine-4-carboxylic acid

C11H15FN4O2 — CID 123962301

IUPAC3-amino-1-(5-fluoro-6-methylpyrimidin-4-yl)piperidine-4-carboxylic acid
SMILESCc1ncnc(N2CCC(C(=O)O)C(N)C2)c1F
InChIInChI=1S/C11H15FN4O2/c1-6-9(12)10(15-5-14-6)16-3-2-7(11(17)18)8(13)4-16/h5,7-8H,2-4,13H2,1H3,(H,17,18)
InChIKeyXVZRVFICAYTYSE-UHFFFAOYSA-N
MW254.26 g/mol
LogP0.16
Rot. Bonds2

About 3-amino-1-(5-fluoro-6-methylpyrimidin-4-yl)piperidine-4-carboxylic acid

3-amino-1-(5-fluoro-6-methylpyrimidin-4-yl)piperidine-4-carboxylic acid (PubChem CID 123962301) has the molecular formula C11H15FN4O2 and a molecular weight of 254.26 g/mol. Its IUPAC name is 3-amino-1-(5-fluoro-6-methylpyrimidin-4-yl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name3-amino-1-(5-fluoro-6-methylpyrimidin-4-yl)piperidine-4-carboxylic acid
PubChem CID123962301
Molecular FormulaC11H15FN4O2
Molecular Weight254.26 g/mol
Exact Mass254.12
IUPAC Name3-amino-1-(5-fluoro-6-methylpyrimidin-4-yl)piperidine-4-carboxylic acid
SMILESCc1ncnc(N2CCC(C(=O)O)C(N)C2)c1F
InChIInChI=1S/C11H15FN4O2/c1-6-9(12)10(15-5-14-6)16-3-2-7(11(17)18)8(13)4-16/h5,7-8H,2-4,13H2,1H3,(H,17,18)
InChIKeyXVZRVFICAYTYSE-UHFFFAOYSA-N
XLogP0.16
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.26
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[6-(Trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxylic acid
CID 75466422
Ethyl 1-(5-fluoro-6-methylpyrimidin-4-yl)piperidine-4-carboxylate
CID 103634678
(3R)-3-amino-1-(6-amino-5-fluoropyrimidin-4-yl)piperidine-4-carboxylic acid
CID 118115954
3-Amino-1-(6-amino-5-fluoropyrimidin-4-yl)piperidine-4-carboxylic acid
CID 118133835
(3R,4R)-3-amino-1-(6-amino-5-fluoropyrimidin-4-yl)piperidine-4-carboxylic acid
CID 118133836
(3R,4S)-3-amino-1-(6-amino-5-fluoropyrimidin-4-yl)piperidine-4-carboxylic acid
CID 134420608
(3R)-1-(6-amino-5-fluoropyrimidin-4-yl)-3-(methylamino)piperidine-4-carboxylic acid
CID 145680572
Methyl 1-(6-cyano-5-fluoropyrimidin-4-yl)piperidine-4-carboxylate
CID 162376253
1-(6-Carbamoyl-5-fluoropyrimidin-4-yl)piperidine-4-carboxylic acid
CID 162376581
Methylphosphanyl 3-amino-1-(6-amino-5-fluoropyrimidin-4-yl)piperidine-4-carboxylate
CID 169916401
methylphosphanyl (3R)-3-amino-1-(6-amino-5-fluoropyrimidin-4-yl)piperidine-4-carboxylate
CID 169916405
(3S,4S)-1-(5-fluoro-6-methylpyrimidin-4-yl)-4-methylpyrrolidine-3-carboxylic acid
CID 105579261

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(5-fluoro-6-methylpyrimidin-4-yl)piperidine-4-carboxylic acid?
The IUPAC name of 3-amino-1-(5-fluoro-6-methylpyrimidin-4-yl)piperidine-4-carboxylic acid (CID 123962301) is 3-amino-1-(5-fluoro-6-methylpyrimidin-4-yl)piperidine-4-carboxylic acid.
What is the SMILES notation for 3-amino-1-(5-fluoro-6-methylpyrimidin-4-yl)piperidine-4-carboxylic acid?
The canonical SMILES for 3-amino-1-(5-fluoro-6-methylpyrimidin-4-yl)piperidine-4-carboxylic acid is Cc1ncnc(N2CCC(C(=O)O)C(N)C2)c1F.
What is the InChIKey of 3-amino-1-(5-fluoro-6-methylpyrimidin-4-yl)piperidine-4-carboxylic acid?
The InChIKey is XVZRVFICAYTYSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN4O2/c1-6-9(12)10(15-5-14-6)16-3-2-7(11(17)18)8(13)4-16/h5,7-8H,2-4,13H2,1H3,(H,17,18).
What are the key properties of 3-amino-1-(5-fluoro-6-methylpyrimidin-4-yl)piperidine-4-carboxylic acid?
3-amino-1-(5-fluoro-6-methylpyrimidin-4-yl)piperidine-4-carboxylic acid has a molecular weight of 254.26 g/mol, XLogP of 0.16, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(5-fluoro-6-methylpyrimidin-4-yl)piperidine-4-carboxylic acid is sourced from PubChem (CID 123962301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).