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

C10H14FN5O2 — CID 118133836

IUPAC(3R,4R)-3-amino-1-(6-amino-5-fluoropyrimidin-4-yl)piperidine-4-carboxylic acid
SMILESNc1ncnc(N2CC[C@@H](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+/m1/s1
InChIKeyHXLHOIAVERKCST-RITPCOANSA-N
MW255.25 g/mol
LogP-0.56
Rot. Bonds2

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

(3R,4R)-3-amino-1-(6-amino-5-fluoropyrimidin-4-yl)piperidine-4-carboxylic acid (PubChem CID 118133836) has the molecular formula C10H14FN5O2 and a molecular weight of 255.25 g/mol. Its IUPAC name is (3R,4R)-3-amino-1-(6-amino-5-fluoropyrimidin-4-yl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name(3R,4R)-3-amino-1-(6-amino-5-fluoropyrimidin-4-yl)piperidine-4-carboxylic acid
PubChem CID118133836
Molecular FormulaC10H14FN5O2
Molecular Weight255.25 g/mol
Exact Mass255.11
IUPAC Name(3R,4R)-3-amino-1-(6-amino-5-fluoropyrimidin-4-yl)piperidine-4-carboxylic acid
SMILESNc1ncnc(N2CC[C@@H](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+/m1/s1
InChIKeyHXLHOIAVERKCST-RITPCOANSA-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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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-3-amino-1-(6-amino-5-fluoropyrimidin-4-yl)piperidine-4-carboxylic acid?
The IUPAC name of (3R,4R)-3-amino-1-(6-amino-5-fluoropyrimidin-4-yl)piperidine-4-carboxylic acid (CID 118133836) is (3R,4R)-3-amino-1-(6-amino-5-fluoropyrimidin-4-yl)piperidine-4-carboxylic acid.
What is the SMILES notation for (3R,4R)-3-amino-1-(6-amino-5-fluoropyrimidin-4-yl)piperidine-4-carboxylic acid?
The canonical SMILES for (3R,4R)-3-amino-1-(6-amino-5-fluoropyrimidin-4-yl)piperidine-4-carboxylic acid is Nc1ncnc(N2CC[C@@H](C(=O)O)[C@@H](N)C2)c1F.
What is the InChIKey of (3R,4R)-3-amino-1-(6-amino-5-fluoropyrimidin-4-yl)piperidine-4-carboxylic acid?
The InChIKey is HXLHOIAVERKCST-RITPCOANSA-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+/m1/s1.
What are the key properties of (3R,4R)-3-amino-1-(6-amino-5-fluoropyrimidin-4-yl)piperidine-4-carboxylic acid?
(3R,4R)-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,4R)-3-amino-1-(6-amino-5-fluoropyrimidin-4-yl)piperidine-4-carboxylic acid is sourced from PubChem (CID 118133836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).