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

C10H14FN5O2 — CID 118115954

IUPAC(3R)-3-amino-1-(6-amino-5-fluoropyrimidin-4-yl)piperidine-4-carboxylic acid
SMILESNc1ncnc(N2CCC(C(=O)O)[C@@H](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)/t5?,6-/m0/s1
InChIKeyHXLHOIAVERKCST-GDVGLLTNSA-N
MW255.25 g/mol
LogP-0.56
Rot. Bonds2

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

(3R)-3-amino-1-(6-amino-5-fluoropyrimidin-4-yl)piperidine-4-carboxylic acid (PubChem CID 118115954) has the molecular formula C10H14FN5O2 and a molecular weight of 255.25 g/mol. Its IUPAC name is (3R)-3-amino-1-(6-amino-5-fluoropyrimidin-4-yl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name(3R)-3-amino-1-(6-amino-5-fluoropyrimidin-4-yl)piperidine-4-carboxylic acid
PubChem CID118115954
Molecular FormulaC10H14FN5O2
Molecular Weight255.25 g/mol
Exact Mass255.11
IUPAC Name(3R)-3-amino-1-(6-amino-5-fluoropyrimidin-4-yl)piperidine-4-carboxylic acid
SMILESNc1ncnc(N2CCC(C(=O)O)[C@@H](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)/t5?,6-/m0/s1
InChIKeyHXLHOIAVERKCST-GDVGLLTNSA-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

Analyze (3R)-3-amino-1-(6-amino-5-fluoropyrimidin-4-yl)piperidine-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-1-(6-amino-5-fluoropyrimidin-4-yl)piperidine-4-carboxylic acid?
The IUPAC name of (3R)-3-amino-1-(6-amino-5-fluoropyrimidin-4-yl)piperidine-4-carboxylic acid (CID 118115954) is (3R)-3-amino-1-(6-amino-5-fluoropyrimidin-4-yl)piperidine-4-carboxylic acid.
What is the SMILES notation for (3R)-3-amino-1-(6-amino-5-fluoropyrimidin-4-yl)piperidine-4-carboxylic acid?
The canonical SMILES for (3R)-3-amino-1-(6-amino-5-fluoropyrimidin-4-yl)piperidine-4-carboxylic acid is Nc1ncnc(N2CCC(C(=O)O)[C@@H](N)C2)c1F.
What is the InChIKey of (3R)-3-amino-1-(6-amino-5-fluoropyrimidin-4-yl)piperidine-4-carboxylic acid?
The InChIKey is HXLHOIAVERKCST-GDVGLLTNSA-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)/t5?,6-/m0/s1.
What are the key properties of (3R)-3-amino-1-(6-amino-5-fluoropyrimidin-4-yl)piperidine-4-carboxylic acid?
(3R)-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 (3R)-3-amino-1-(6-amino-5-fluoropyrimidin-4-yl)piperidine-4-carboxylic acid is sourced from PubChem (CID 118115954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).