(2R,3R,4S,5R)-5-(4-amino-5-fluoro-2-oxopyrimidin-1-yl)-4-fluoro-3-hydroxy-2-(hydroxymethyl)oxolane-2-carboxamide

C10H12F2N4O5 — CID 169068486

IUPAC(2R,3R,4S,5R)-5-(4-amino-5-fluoro-2-oxopyrimidin-1-yl)-4-fluoro-3-hydroxy-2-(hydroxymethyl)oxolane-2-carboxamide
SMILESNC(=O)[C@]1(CO)O[C@@H](n2cc(F)c(N)nc2=O)[C@@H](F)[C@@H]1O
InChIInChI=1S/C10H12F2N4O5/c11-3-1-16(9(20)15-6(3)13)7-4(12)5(18)10(2-17,21-7)8(14)19/h1,4-5,7,17-18H,2H2,(H2,14,19)(H2,13,15,20)/t4-,5-,7+,10+/m0/s1
InChIKeyWVUXTQZCFIWARI-NVDYINRQSA-N
MW306.23 g/mol
LogP-2.59
Rot. Bonds3

About (2R,3R,4S,5R)-5-(4-amino-5-fluoro-2-oxopyrimidin-1-yl)-4-fluoro-3-hydroxy-2-(hydroxymethyl)oxolane-2-carboxamide

(2R,3R,4S,5R)-5-(4-amino-5-fluoro-2-oxopyrimidin-1-yl)-4-fluoro-3-hydroxy-2-(hydroxymethyl)oxolane-2-carboxamide (PubChem CID 169068486) has the molecular formula C10H12F2N4O5 and a molecular weight of 306.23 g/mol. Its IUPAC name is (2R,3R,4S,5R)-5-(4-amino-5-fluoro-2-oxopyrimidin-1-yl)-4-fluoro-3-hydroxy-2-(hydroxymethyl)oxolane-2-carboxamide.

Molecular Properties

Compound Name(2R,3R,4S,5R)-5-(4-amino-5-fluoro-2-oxopyrimidin-1-yl)-4-fluoro-3-hydroxy-2-(hydroxymethyl)oxolane-2-carboxamide
PubChem CID169068486
Molecular FormulaC10H12F2N4O5
Molecular Weight306.23 g/mol
Exact Mass306.08
IUPAC Name(2R,3R,4S,5R)-5-(4-amino-5-fluoro-2-oxopyrimidin-1-yl)-4-fluoro-3-hydroxy-2-(hydroxymethyl)oxolane-2-carboxamide
SMILESNC(=O)[C@]1(CO)O[C@@H](n2cc(F)c(N)nc2=O)[C@@H](F)[C@@H]1O
InChIInChI=1S/C10H12F2N4O5/c11-3-1-16(9(20)15-6(3)13)7-4(12)5(18)10(2-17,21-7)8(14)19/h1,4-5,7,17-18H,2H2,(H2,14,19)(H2,13,15,20)/t4-,5-,7+,10+/m0/s1
InChIKeyWVUXTQZCFIWARI-NVDYINRQSA-N
XLogP-2.59
TPSA153.69 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.23
LogP ≤ 5-2.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5R)-5-(4-amino-5-fluoro-2-oxopyrimidin-1-yl)-4-fluoro-3-hydroxy-2-(hydroxymethyl)oxolane-2-carboxamide?
The IUPAC name of (2R,3R,4S,5R)-5-(4-amino-5-fluoro-2-oxopyrimidin-1-yl)-4-fluoro-3-hydroxy-2-(hydroxymethyl)oxolane-2-carboxamide (CID 169068486) is (2R,3R,4S,5R)-5-(4-amino-5-fluoro-2-oxopyrimidin-1-yl)-4-fluoro-3-hydroxy-2-(hydroxymethyl)oxolane-2-carboxamide.
What is the SMILES notation for (2R,3R,4S,5R)-5-(4-amino-5-fluoro-2-oxopyrimidin-1-yl)-4-fluoro-3-hydroxy-2-(hydroxymethyl)oxolane-2-carboxamide?
The canonical SMILES for (2R,3R,4S,5R)-5-(4-amino-5-fluoro-2-oxopyrimidin-1-yl)-4-fluoro-3-hydroxy-2-(hydroxymethyl)oxolane-2-carboxamide is NC(=O)[C@]1(CO)O[C@@H](n2cc(F)c(N)nc2=O)[C@@H](F)[C@@H]1O.
What is the InChIKey of (2R,3R,4S,5R)-5-(4-amino-5-fluoro-2-oxopyrimidin-1-yl)-4-fluoro-3-hydroxy-2-(hydroxymethyl)oxolane-2-carboxamide?
The InChIKey is WVUXTQZCFIWARI-NVDYINRQSA-N. The full InChI is InChI=1S/C10H12F2N4O5/c11-3-1-16(9(20)15-6(3)13)7-4(12)5(18)10(2-17,21-7)8(14)19/h1,4-5,7,17-18H,2H2,(H2,14,19)(H2,13,15,20)/t4-,5-,7+,10+/m0/s1.
What are the key properties of (2R,3R,4S,5R)-5-(4-amino-5-fluoro-2-oxopyrimidin-1-yl)-4-fluoro-3-hydroxy-2-(hydroxymethyl)oxolane-2-carboxamide?
(2R,3R,4S,5R)-5-(4-amino-5-fluoro-2-oxopyrimidin-1-yl)-4-fluoro-3-hydroxy-2-(hydroxymethyl)oxolane-2-carboxamide has a molecular weight of 306.23 g/mol, XLogP of -2.59, 3 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5R)-5-(4-amino-5-fluoro-2-oxopyrimidin-1-yl)-4-fluoro-3-hydroxy-2-(hydroxymethyl)oxolane-2-carboxamide is sourced from PubChem (CID 169068486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).