(2R,3R,4S,5S)-2-(4-amino-2-oxopyrimidin-1-yl)-5-(fluoromethyl)-4-hydroxyoxolane-3-carbonitrile

C10H11FN4O3 — CID 71348719

IUPAC(2R,3R,4S,5S)-2-(4-amino-2-oxopyrimidin-1-yl)-5-(fluoromethyl)-4-hydroxyoxolane-3-carbonitrile
SMILESN#C[C@@H]1[C@H](O)[C@@H](CF)O[C@H]1n1ccc(N)nc1=O
InChIInChI=1S/C10H11FN4O3/c11-3-6-8(16)5(4-12)9(18-6)15-2-1-7(13)14-10(15)17/h1-2,5-6,8-9,16H,3H2,(H2,13,14,17)/t5-,6-,8+,9-/m1/s1
InChIKeyWUPUJQFFACGSLY-MTSNSDSCSA-N
MW254.22 g/mol
LogP-0.81
Rot. Bonds2

About (2R,3R,4S,5S)-2-(4-amino-2-oxopyrimidin-1-yl)-5-(fluoromethyl)-4-hydroxyoxolane-3-carbonitrile

(2R,3R,4S,5S)-2-(4-amino-2-oxopyrimidin-1-yl)-5-(fluoromethyl)-4-hydroxyoxolane-3-carbonitrile (PubChem CID 71348719) has the molecular formula C10H11FN4O3 and a molecular weight of 254.22 g/mol. Its IUPAC name is (2R,3R,4S,5S)-2-(4-amino-2-oxopyrimidin-1-yl)-5-(fluoromethyl)-4-hydroxyoxolane-3-carbonitrile.

Molecular Properties

Compound Name(2R,3R,4S,5S)-2-(4-amino-2-oxopyrimidin-1-yl)-5-(fluoromethyl)-4-hydroxyoxolane-3-carbonitrile
PubChem CID71348719
Molecular FormulaC10H11FN4O3
Molecular Weight254.22 g/mol
Exact Mass254.08
IUPAC Name(2R,3R,4S,5S)-2-(4-amino-2-oxopyrimidin-1-yl)-5-(fluoromethyl)-4-hydroxyoxolane-3-carbonitrile
SMILESN#C[C@@H]1[C@H](O)[C@@H](CF)O[C@H]1n1ccc(N)nc1=O
InChIInChI=1S/C10H11FN4O3/c11-3-6-8(16)5(4-12)9(18-6)15-2-1-7(13)14-10(15)17/h1-2,5-6,8-9,16H,3H2,(H2,13,14,17)/t5-,6-,8+,9-/m1/s1
InChIKeyWUPUJQFFACGSLY-MTSNSDSCSA-N
XLogP-0.81
TPSA114.16 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.22
LogP ≤ 5-0.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5S)-2-(4-amino-2-oxopyrimidin-1-yl)-5-(fluoromethyl)-4-hydroxyoxolane-3-carbonitrile?
The IUPAC name of (2R,3R,4S,5S)-2-(4-amino-2-oxopyrimidin-1-yl)-5-(fluoromethyl)-4-hydroxyoxolane-3-carbonitrile (CID 71348719) is (2R,3R,4S,5S)-2-(4-amino-2-oxopyrimidin-1-yl)-5-(fluoromethyl)-4-hydroxyoxolane-3-carbonitrile.
What is the SMILES notation for (2R,3R,4S,5S)-2-(4-amino-2-oxopyrimidin-1-yl)-5-(fluoromethyl)-4-hydroxyoxolane-3-carbonitrile?
The canonical SMILES for (2R,3R,4S,5S)-2-(4-amino-2-oxopyrimidin-1-yl)-5-(fluoromethyl)-4-hydroxyoxolane-3-carbonitrile is N#C[C@@H]1[C@H](O)[C@@H](CF)O[C@H]1n1ccc(N)nc1=O.
What is the InChIKey of (2R,3R,4S,5S)-2-(4-amino-2-oxopyrimidin-1-yl)-5-(fluoromethyl)-4-hydroxyoxolane-3-carbonitrile?
The InChIKey is WUPUJQFFACGSLY-MTSNSDSCSA-N. The full InChI is InChI=1S/C10H11FN4O3/c11-3-6-8(16)5(4-12)9(18-6)15-2-1-7(13)14-10(15)17/h1-2,5-6,8-9,16H,3H2,(H2,13,14,17)/t5-,6-,8+,9-/m1/s1.
What are the key properties of (2R,3R,4S,5S)-2-(4-amino-2-oxopyrimidin-1-yl)-5-(fluoromethyl)-4-hydroxyoxolane-3-carbonitrile?
(2R,3R,4S,5S)-2-(4-amino-2-oxopyrimidin-1-yl)-5-(fluoromethyl)-4-hydroxyoxolane-3-carbonitrile has a molecular weight of 254.22 g/mol, XLogP of -0.81, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5S)-2-(4-amino-2-oxopyrimidin-1-yl)-5-(fluoromethyl)-4-hydroxyoxolane-3-carbonitrile is sourced from PubChem (CID 71348719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).