1-[(2S,5R)-4-azido-5-ethyloxolan-2-yl]-5-fluoro-4-methylpyrimidin-2-one

C11H14FN5O2 — CID 90904264

IUPAC1-[(2S,5R)-4-azido-5-ethyloxolan-2-yl]-5-fluoro-4-methylpyrimidin-2-one
SMILESCC[C@H]1O[C@H](n2cc(F)c(C)nc2=O)CC1N=[N+]=[N-]
InChIInChI=1S/C11H14FN5O2/c1-3-9-8(15-16-13)4-10(19-9)17-5-7(12)6(2)14-11(17)18/h5,8-10H,3-4H2,1-2H3/t8?,9-,10+/m1/s1
InChIKeyPQYUKBSBHWOKGG-XVBQNVSMSA-N
MW267.26 g/mol
LogP2.07
Rot. Bonds3

About 1-[(2S,5R)-4-azido-5-ethyloxolan-2-yl]-5-fluoro-4-methylpyrimidin-2-one

1-[(2S,5R)-4-azido-5-ethyloxolan-2-yl]-5-fluoro-4-methylpyrimidin-2-one (PubChem CID 90904264) has the molecular formula C11H14FN5O2 and a molecular weight of 267.26 g/mol. Its IUPAC name is 1-[(2S,5R)-4-azido-5-ethyloxolan-2-yl]-5-fluoro-4-methylpyrimidin-2-one.

Molecular Properties

Compound Name1-[(2S,5R)-4-azido-5-ethyloxolan-2-yl]-5-fluoro-4-methylpyrimidin-2-one
PubChem CID90904264
Molecular FormulaC11H14FN5O2
Molecular Weight267.26 g/mol
Exact Mass267.11
IUPAC Name1-[(2S,5R)-4-azido-5-ethyloxolan-2-yl]-5-fluoro-4-methylpyrimidin-2-one
SMILESCC[C@H]1O[C@H](n2cc(F)c(C)nc2=O)CC1N=[N+]=[N-]
InChIInChI=1S/C11H14FN5O2/c1-3-9-8(15-16-13)4-10(19-9)17-5-7(12)6(2)14-11(17)18/h5,8-10H,3-4H2,1-2H3/t8?,9-,10+/m1/s1
InChIKeyPQYUKBSBHWOKGG-XVBQNVSMSA-N
XLogP2.07
TPSA92.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.26
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze 1-[(2S,5R)-4-azido-5-ethyloxolan-2-yl]-5-fluoro-4-methylpyrimidin-2-one with MolForge

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

Launch Full Analysis

Related Compounds

4-amino-1-[(2S,4S,5S)-4-azido-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidin-2-one
CID 26433555
1-[(2S,4R,5S)-4-azido-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-4-piperidin-1-ylpyrimidin-2-one
CID 124891500
1-[(2R,4R,5S)-4-azido-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-4-piperidin-1-ylpyrimidin-2-one
CID 95166387
1-[4-azido-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-4-piperidin-1-ylpyrimidin-2-one
CID 71834936
1-[(2S,4R,5R)-4-azido-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-4-piperidin-1-ylpyrimidin-2-one
CID 98225643
4-amino-1-[(2R,5S)-4-azido-5-(hydroxymethyl)oxolan-2-yl]-5-prop-1-ynylpyrimidin-2-one
CID 57287538
4-amino-5-(3-aminoprop-1-ynyl)-1-[(2R,5S)-4-azido-5-(methoxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 174033395
4-amino-1-[(2R,4S,5S)-4-azido-5-(hydroxymethyl)oxolan-2-yl]-5-prop-2-ynylpyrimidin-2-one
CID 71347466
1-[(2R,4S,5S)-4-azido-5-(hydroxymethyl)oxolan-2-yl]-2-methylsulfanylpyrimidin-4-one
CID 10517080
1-[(2R,5R)-4-azido-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 6334745
5-fluoro-1-[(3R)-3-hydroxy-5-methyloxolan-2-yl]-4-methylpyrimidin-2-one
CID 143394756
sodium 1-[(2R,4S,5S)-4-azido-5-[[hydroxy(octoxycarbonyl)phosphoryl]oxymethyl]oxolan-2-yl]-5-methyl-2-oxopyrimidin-4-olate
CID 102427701

Frequently Asked Questions

What is the IUPAC name of 1-[(2S,5R)-4-azido-5-ethyloxolan-2-yl]-5-fluoro-4-methylpyrimidin-2-one?
The IUPAC name of 1-[(2S,5R)-4-azido-5-ethyloxolan-2-yl]-5-fluoro-4-methylpyrimidin-2-one (CID 90904264) is 1-[(2S,5R)-4-azido-5-ethyloxolan-2-yl]-5-fluoro-4-methylpyrimidin-2-one.
What is the SMILES notation for 1-[(2S,5R)-4-azido-5-ethyloxolan-2-yl]-5-fluoro-4-methylpyrimidin-2-one?
The canonical SMILES for 1-[(2S,5R)-4-azido-5-ethyloxolan-2-yl]-5-fluoro-4-methylpyrimidin-2-one is CC[C@H]1O[C@H](n2cc(F)c(C)nc2=O)CC1N=[N+]=[N-].
What is the InChIKey of 1-[(2S,5R)-4-azido-5-ethyloxolan-2-yl]-5-fluoro-4-methylpyrimidin-2-one?
The InChIKey is PQYUKBSBHWOKGG-XVBQNVSMSA-N. The full InChI is InChI=1S/C11H14FN5O2/c1-3-9-8(15-16-13)4-10(19-9)17-5-7(12)6(2)14-11(17)18/h5,8-10H,3-4H2,1-2H3/t8?,9-,10+/m1/s1.
What are the key properties of 1-[(2S,5R)-4-azido-5-ethyloxolan-2-yl]-5-fluoro-4-methylpyrimidin-2-one?
1-[(2S,5R)-4-azido-5-ethyloxolan-2-yl]-5-fluoro-4-methylpyrimidin-2-one has a molecular weight of 267.26 g/mol, XLogP of 2.07, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S,5R)-4-azido-5-ethyloxolan-2-yl]-5-fluoro-4-methylpyrimidin-2-one is sourced from PubChem (CID 90904264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).