1-[(2S,5S)-5-azido-5-(hydroxymethyl)-2H-furan-2-yl]-5-methylpyrimidine-2,4-dione

C10H11N5O4 — CID 11967946

IUPAC1-[(2S,5S)-5-azido-5-(hydroxymethyl)-2H-furan-2-yl]-5-methylpyrimidine-2,4-dione
SMILESCc1cn([C@@H]2C=C[C@](CO)(N=[N+]=[N-])O2)c(=O)[nH]c1=O
InChIInChI=1S/C10H11N5O4/c1-6-4-15(9(18)12-8(6)17)7-2-3-10(5-16,19-7)13-14-11/h2-4,7,16H,5H2,1H3,(H,12,17,18)/t7-,10-/m0/s1
InChIKeyLBKOJHCKIMQJPQ-XVKPBYJWSA-N
MW265.23 g/mol
LogP-0.07
Rot. Bonds3

About 1-[(2S,5S)-5-azido-5-(hydroxymethyl)-2H-furan-2-yl]-5-methylpyrimidine-2,4-dione

1-[(2S,5S)-5-azido-5-(hydroxymethyl)-2H-furan-2-yl]-5-methylpyrimidine-2,4-dione (PubChem CID 11967946) has the molecular formula C10H11N5O4 and a molecular weight of 265.23 g/mol. Its IUPAC name is 1-[(2S,5S)-5-azido-5-(hydroxymethyl)-2H-furan-2-yl]-5-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(2S,5S)-5-azido-5-(hydroxymethyl)-2H-furan-2-yl]-5-methylpyrimidine-2,4-dione
PubChem CID11967946
Molecular FormulaC10H11N5O4
Molecular Weight265.23 g/mol
Exact Mass265.08
IUPAC Name1-[(2S,5S)-5-azido-5-(hydroxymethyl)-2H-furan-2-yl]-5-methylpyrimidine-2,4-dione
SMILESCc1cn([C@@H]2C=C[C@](CO)(N=[N+]=[N-])O2)c(=O)[nH]c1=O
InChIInChI=1S/C10H11N5O4/c1-6-4-15(9(18)12-8(6)17)7-2-3-10(5-16,19-7)13-14-11/h2-4,7,16H,5H2,1H3,(H,12,17,18)/t7-,10-/m0/s1
InChIKeyLBKOJHCKIMQJPQ-XVKPBYJWSA-N
XLogP-0.07
TPSA133.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.23
LogP ≤ 5-0.07
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': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

1-[(2S,5R)-5-ethynyl-5-(hydroxymethyl)-2H-furan-2-yl]-5-methylpyrimidine-2,4-dione
CID 86647242
1-[5-azido-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 110194722
1-[(2R,4S,5S)-4-azido-4,5-bis(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 118466031
1-[4-azido-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-5-methylpyrimidine-2,4-dione
CID 20846027
1-[(2S,5S)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-5-methylpyrimidine-2,4-dione
CID 727961
1-[(2R,5S)-5-(hydroxy(113C)methyl)-(2,3,4,5-13C4)2,5-dihydrofuran-2-yl]-5-methyl(613C,1,3-15N2)pyrimidine-2,4-dione
CID 11042603
1-[(2R,3R,4S)-3-azido-4-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 15480632
1-[(2R,3R,4S,5S)-5-azido-3,4-dibenzoyl-3,4-dihydroxy-5-(iodomethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 57145486
[(1S,3R,7S)-1-(hydroxymethyl)-3-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,5-dioxabicyclo[2.2.1]heptan-7-yl] dihydrogen phosphate
CID 102301531
1-[(5S)-5-(hydroxymethyl)-5-methyloxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 169190454
1-[(2R,5R)-4-azido-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 6334745
1-[(1S,3R)-7-hydroxy-1-(hydroxymethyl)-2,5-dioxabicyclo[2.2.1]heptan-3-yl]-5-methylpyrimidine-2,4-dione
CID 89495452

Frequently Asked Questions

What is the IUPAC name of 1-[(2S,5S)-5-azido-5-(hydroxymethyl)-2H-furan-2-yl]-5-methylpyrimidine-2,4-dione?
The IUPAC name of 1-[(2S,5S)-5-azido-5-(hydroxymethyl)-2H-furan-2-yl]-5-methylpyrimidine-2,4-dione (CID 11967946) is 1-[(2S,5S)-5-azido-5-(hydroxymethyl)-2H-furan-2-yl]-5-methylpyrimidine-2,4-dione.
What is the SMILES notation for 1-[(2S,5S)-5-azido-5-(hydroxymethyl)-2H-furan-2-yl]-5-methylpyrimidine-2,4-dione?
The canonical SMILES for 1-[(2S,5S)-5-azido-5-(hydroxymethyl)-2H-furan-2-yl]-5-methylpyrimidine-2,4-dione is Cc1cn([C@@H]2C=C[C@](CO)(N=[N+]=[N-])O2)c(=O)[nH]c1=O.
What is the InChIKey of 1-[(2S,5S)-5-azido-5-(hydroxymethyl)-2H-furan-2-yl]-5-methylpyrimidine-2,4-dione?
The InChIKey is LBKOJHCKIMQJPQ-XVKPBYJWSA-N. The full InChI is InChI=1S/C10H11N5O4/c1-6-4-15(9(18)12-8(6)17)7-2-3-10(5-16,19-7)13-14-11/h2-4,7,16H,5H2,1H3,(H,12,17,18)/t7-,10-/m0/s1.
What are the key properties of 1-[(2S,5S)-5-azido-5-(hydroxymethyl)-2H-furan-2-yl]-5-methylpyrimidine-2,4-dione?
1-[(2S,5S)-5-azido-5-(hydroxymethyl)-2H-furan-2-yl]-5-methylpyrimidine-2,4-dione has a molecular weight of 265.23 g/mol, XLogP of -0.07, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S,5S)-5-azido-5-(hydroxymethyl)-2H-furan-2-yl]-5-methylpyrimidine-2,4-dione is sourced from PubChem (CID 11967946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).