5-[(2R,3R,4R)-3-azido-4-fluoro-2-(hydroxymethyl)oxolan-2-yl]-1-methylpyrimidine-2,4-dione

C10H12FN5O4 — CID 123887425

IUPAC5-[(2R,3R,4R)-3-azido-4-fluoro-2-(hydroxymethyl)oxolan-2-yl]-1-methylpyrimidine-2,4-dione
SMILESCn1cc([C@@]2(CO)OC[C@H](F)[C@@H]2N=[N+]=[N-])c(=O)[nH]c1=O
InChIInChI=1S/C10H12FN5O4/c1-16-2-5(8(18)13-9(16)19)10(4-17)7(14-15-12)6(11)3-20-10/h2,6-7,17H,3-4H2,1H3,(H,13,18,19)/t6-,7-,10+/m0/s1
InChIKeyOPXGOBTVOIMEET-MHYGZLNHSA-N
MW285.24 g/mol
LogP-0.69
Rot. Bonds3

About 5-[(2R,3R,4R)-3-azido-4-fluoro-2-(hydroxymethyl)oxolan-2-yl]-1-methylpyrimidine-2,4-dione

5-[(2R,3R,4R)-3-azido-4-fluoro-2-(hydroxymethyl)oxolan-2-yl]-1-methylpyrimidine-2,4-dione (PubChem CID 123887425) has the molecular formula C10H12FN5O4 and a molecular weight of 285.24 g/mol. Its IUPAC name is 5-[(2R,3R,4R)-3-azido-4-fluoro-2-(hydroxymethyl)oxolan-2-yl]-1-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[(2R,3R,4R)-3-azido-4-fluoro-2-(hydroxymethyl)oxolan-2-yl]-1-methylpyrimidine-2,4-dione
PubChem CID123887425
Molecular FormulaC10H12FN5O4
Molecular Weight285.24 g/mol
Exact Mass285.09
IUPAC Name5-[(2R,3R,4R)-3-azido-4-fluoro-2-(hydroxymethyl)oxolan-2-yl]-1-methylpyrimidine-2,4-dione
SMILESCn1cc([C@@]2(CO)OC[C@H](F)[C@@H]2N=[N+]=[N-])c(=O)[nH]c1=O
InChIInChI=1S/C10H12FN5O4/c1-16-2-5(8(18)13-9(16)19)10(4-17)7(14-15-12)6(11)3-20-10/h2,6-7,17H,3-4H2,1H3,(H,13,18,19)/t6-,7-,10+/m0/s1
InChIKeyOPXGOBTVOIMEET-MHYGZLNHSA-N
XLogP-0.69
TPSA133.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.24
LogP ≤ 5-0.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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'}

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Related Compounds

(2S,4S,5S)-4-azido-5-(hydroxymethyl)-2-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolane-2-carboxylic acid
CID 154167761
1-[(2R,3R,4S)-3-azido-4-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 15480632
1-[(2R,5R)-4-azido-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 6334745
1-[(2R,4S,5S)-4-azido-4,5-bis(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 118466031
1-[(2R,4S,5S)-4-azido-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione;2,4,6,8,9,10-hexaoxa-1,3,5,7-tetrarsatricyclo[3.3.1.13,7]decane
CID 53239239
5-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-1-methylpyrimidine-2,4-dione
CID 174007747
5-[5-(hydroxymethyl)oxolan-2-yl]-1-methylpyrimidine-2,4-dione
CID 169201590
1-[5-azido-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 110194722
[(2R,4R,5S)-4-benzoyloxy-2-(hydroxymethyl)-5-(1-methyl-2,4-dioxopyrimidin-5-yl)oxolan-3-yl] benzoate
CID 170453119
1-[(2R,4S)-4-azidooxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 175883401
1-[(2S,5S)-5-azido-5-(hydroxymethyl)-2H-furan-2-yl]-5-methylpyrimidine-2,4-dione
CID 11967946
1-[(2R,3S,4R,5R)-5-azido-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-fluoropyrimidine-2,4-dione
CID 175678243

Frequently Asked Questions

What is the IUPAC name of 5-[(2R,3R,4R)-3-azido-4-fluoro-2-(hydroxymethyl)oxolan-2-yl]-1-methylpyrimidine-2,4-dione?
The IUPAC name of 5-[(2R,3R,4R)-3-azido-4-fluoro-2-(hydroxymethyl)oxolan-2-yl]-1-methylpyrimidine-2,4-dione (CID 123887425) is 5-[(2R,3R,4R)-3-azido-4-fluoro-2-(hydroxymethyl)oxolan-2-yl]-1-methylpyrimidine-2,4-dione.
What is the SMILES notation for 5-[(2R,3R,4R)-3-azido-4-fluoro-2-(hydroxymethyl)oxolan-2-yl]-1-methylpyrimidine-2,4-dione?
The canonical SMILES for 5-[(2R,3R,4R)-3-azido-4-fluoro-2-(hydroxymethyl)oxolan-2-yl]-1-methylpyrimidine-2,4-dione is Cn1cc([C@@]2(CO)OC[C@H](F)[C@@H]2N=[N+]=[N-])c(=O)[nH]c1=O.
What is the InChIKey of 5-[(2R,3R,4R)-3-azido-4-fluoro-2-(hydroxymethyl)oxolan-2-yl]-1-methylpyrimidine-2,4-dione?
The InChIKey is OPXGOBTVOIMEET-MHYGZLNHSA-N. The full InChI is InChI=1S/C10H12FN5O4/c1-16-2-5(8(18)13-9(16)19)10(4-17)7(14-15-12)6(11)3-20-10/h2,6-7,17H,3-4H2,1H3,(H,13,18,19)/t6-,7-,10+/m0/s1.
What are the key properties of 5-[(2R,3R,4R)-3-azido-4-fluoro-2-(hydroxymethyl)oxolan-2-yl]-1-methylpyrimidine-2,4-dione?
5-[(2R,3R,4R)-3-azido-4-fluoro-2-(hydroxymethyl)oxolan-2-yl]-1-methylpyrimidine-2,4-dione has a molecular weight of 285.24 g/mol, XLogP of -0.69, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R,3R,4R)-3-azido-4-fluoro-2-(hydroxymethyl)oxolan-2-yl]-1-methylpyrimidine-2,4-dione is sourced from PubChem (CID 123887425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).