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

C10H13N5O4 — CID 15480632

IUPAC1-[(2R,3R,4S)-3-azido-4-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
SMILESCc1cn([C@@H]2OC[C@H](CO)[C@H]2N=[N+]=[N-])c(=O)[nH]c1=O
InChIInChI=1S/C10H13N5O4/c1-5-2-15(10(18)12-8(5)17)9-7(13-14-11)6(3-16)4-19-9/h2,6-7,9,16H,3-4H2,1H3,(H,12,17,18)/t6-,7+,9+/m0/s1
InChIKeyFMUNPLMWHOKDSD-LKEWCRSYSA-N
MW267.25 g/mol
LogP-0.34
Rot. Bonds3

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

1-[(2R,3R,4S)-3-azido-4-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione (PubChem CID 15480632) has the molecular formula C10H13N5O4 and a molecular weight of 267.25 g/mol. Its IUPAC name is 1-[(2R,3R,4S)-3-azido-4-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(2R,3R,4S)-3-azido-4-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
PubChem CID15480632
Molecular FormulaC10H13N5O4
Molecular Weight267.25 g/mol
Exact Mass267.10
IUPAC Name1-[(2R,3R,4S)-3-azido-4-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
SMILESCc1cn([C@@H]2OC[C@H](CO)[C@H]2N=[N+]=[N-])c(=O)[nH]c1=O
InChIInChI=1S/C10H13N5O4/c1-5-2-15(10(18)12-8(5)17)9-7(13-14-11)6(3-16)4-19-9/h2,6-7,9,16H,3-4H2,1H3,(H,12,17,18)/t6-,7+,9+/m0/s1
InChIKeyFMUNPLMWHOKDSD-LKEWCRSYSA-N
XLogP-0.34
TPSA133.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.25
LogP ≤ 5-0.34
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

1-[(2R,3S,4S)-3,4-bis(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 101037148
1-[(2R,4S)-4-azidooxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 175883401
1-[(2R,5R)-4-azido-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 6334745
1-[(2R,3R,4S)-3,4-dihydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 12068040
[(2R,3S,4R,5R)-3-acetyloxy-4-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl acetate
CID 171361605
1-[(2R,3R,5S)-5-(hydroxymethyl)-3-methyloxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 10490207
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
1-[(2R,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 6473775
1-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxy(113C)methyl)(2,3,4,5-13C4)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 139024626
1-[(2R,3R,4R)-3-amino-4-hydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 139122475
1-[3,4-bis(hydroxymethyl)oxetan-2-yl]-5-methylpyrimidine-2,4-dione
CID 23353423
1-[(2S,3R,4S,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 7282395

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,3R,4S)-3-azido-4-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione?
The IUPAC name of 1-[(2R,3R,4S)-3-azido-4-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione (CID 15480632) is 1-[(2R,3R,4S)-3-azido-4-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione.
What is the SMILES notation for 1-[(2R,3R,4S)-3-azido-4-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione?
The canonical SMILES for 1-[(2R,3R,4S)-3-azido-4-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione is Cc1cn([C@@H]2OC[C@H](CO)[C@H]2N=[N+]=[N-])c(=O)[nH]c1=O.
What is the InChIKey of 1-[(2R,3R,4S)-3-azido-4-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione?
The InChIKey is FMUNPLMWHOKDSD-LKEWCRSYSA-N. The full InChI is InChI=1S/C10H13N5O4/c1-5-2-15(10(18)12-8(5)17)9-7(13-14-11)6(3-16)4-19-9/h2,6-7,9,16H,3-4H2,1H3,(H,12,17,18)/t6-,7+,9+/m0/s1.
What are the key properties of 1-[(2R,3R,4S)-3-azido-4-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione?
1-[(2R,3R,4S)-3-azido-4-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione has a molecular weight of 267.25 g/mol, XLogP of -0.34, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,3R,4S)-3-azido-4-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione is sourced from PubChem (CID 15480632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).