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

C10H14FN5O2 — CID 118133835

IUPAC3-amino-1-(6-amino-5-fluoropyrimidin-4-yl)piperidine-4-carboxylic acid
SMILESNc1ncnc(N2CCC(C(=O)O)C(N)C2)c1F
InChIInChI=1S/C10H14FN5O2/c11-7-8(13)14-4-15-9(7)16-2-1-5(10(17)18)6(12)3-16/h4-6H,1-3,12H2,(H,17,18)(H2,13,14,15)
InChIKeyHXLHOIAVERKCST-UHFFFAOYSA-N
MW255.25 g/mol
LogP-0.56
Rot. Bonds2

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

3-amino-1-(6-amino-5-fluoropyrimidin-4-yl)piperidine-4-carboxylic acid (PubChem CID 118133835) has the molecular formula C10H14FN5O2 and a molecular weight of 255.25 g/mol. Its IUPAC name is 3-amino-1-(6-amino-5-fluoropyrimidin-4-yl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name3-amino-1-(6-amino-5-fluoropyrimidin-4-yl)piperidine-4-carboxylic acid
PubChem CID118133835
Molecular FormulaC10H14FN5O2
Molecular Weight255.25 g/mol
Exact Mass255.11
IUPAC Name3-amino-1-(6-amino-5-fluoropyrimidin-4-yl)piperidine-4-carboxylic acid
SMILESNc1ncnc(N2CCC(C(=O)O)C(N)C2)c1F
InChIInChI=1S/C10H14FN5O2/c11-7-8(13)14-4-15-9(7)16-2-1-5(10(17)18)6(12)3-16/h4-6H,1-3,12H2,(H,17,18)(H2,13,14,15)
InChIKeyHXLHOIAVERKCST-UHFFFAOYSA-N
XLogP-0.56
TPSA118.36 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.25
LogP ≤ 5-0.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

(3R)-3-amino-1-(6-amino-5-fluoropyrimidin-4-yl)piperidine-4-carboxylic acid
CID 118115954
1-[(3R,4R)-3-amino-1-(6-amino-5-fluoropyrimidin-4-yl)piperidin-4-yl]ethanone
CID 118133829
1-[3-Amino-1-(6-amino-5-fluoropyrimidin-4-yl)piperidin-4-yl]ethanone
CID 118133834
(3R,4R)-3-amino-1-(6-amino-5-fluoropyrimidin-4-yl)piperidine-4-carboxylic acid
CID 118133836
(3R,4S)-1-(6-amino-5-fluoropyrimidin-4-yl)-3-(3-methyl-2-oxopiperidin-1-yl)piperidine-4-carboxylic acid
CID 118136328
3-Amino-1-(5-fluoro-6-methylpyrimidin-4-yl)piperidine-4-carboxylic acid
CID 123962301
(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
1-(6-Fluoropyrimidin-4-yl)piperidine-4-carboxylic acid
CID 162376335
(3R)-1-(6-amino-5-fluoropyrimidin-4-yl)-3-methylpiperidine-4-carboxylic acid
CID 164072256
1-(5-Fluoro-4-isocyanopyrimidin-2-yl)piperidine-4-carboxylic acid
CID 168838989
Methyl 1-(5-fluoro-6-isocyanopyrimidin-4-yl)piperidine-4-carboxylate
CID 168839017

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(6-amino-5-fluoropyrimidin-4-yl)piperidine-4-carboxylic acid?
The IUPAC name of 3-amino-1-(6-amino-5-fluoropyrimidin-4-yl)piperidine-4-carboxylic acid (CID 118133835) is 3-amino-1-(6-amino-5-fluoropyrimidin-4-yl)piperidine-4-carboxylic acid.
What is the SMILES notation for 3-amino-1-(6-amino-5-fluoropyrimidin-4-yl)piperidine-4-carboxylic acid?
The canonical SMILES for 3-amino-1-(6-amino-5-fluoropyrimidin-4-yl)piperidine-4-carboxylic acid is Nc1ncnc(N2CCC(C(=O)O)C(N)C2)c1F.
What is the InChIKey of 3-amino-1-(6-amino-5-fluoropyrimidin-4-yl)piperidine-4-carboxylic acid?
The InChIKey is HXLHOIAVERKCST-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FN5O2/c11-7-8(13)14-4-15-9(7)16-2-1-5(10(17)18)6(12)3-16/h4-6H,1-3,12H2,(H,17,18)(H2,13,14,15).
What are the key properties of 3-amino-1-(6-amino-5-fluoropyrimidin-4-yl)piperidine-4-carboxylic acid?
3-amino-1-(6-amino-5-fluoropyrimidin-4-yl)piperidine-4-carboxylic acid has a molecular weight of 255.25 g/mol, XLogP of -0.56, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(6-amino-5-fluoropyrimidin-4-yl)piperidine-4-carboxylic acid is sourced from PubChem (CID 118133835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).