5-(1-azidoethenyl)-1-(1,3-dihydroxypropan-2-yloxymethyl)pyrimidine-2,4-dione

C10H13N5O5 — CID 3003709

IUPAC5-(1-azidoethenyl)-1-(1,3-dihydroxypropan-2-yloxymethyl)pyrimidine-2,4-dione
SMILESC=C(N=[N+]=[N-])c1cn(COC(CO)CO)c(=O)[nH]c1=O
InChIInChI=1S/C10H13N5O5/c1-6(13-14-11)8-2-15(10(19)12-9(8)18)5-20-7(3-16)4-17/h2,7,16-17H,1,3-5H2,(H,12,18,19)
InChIKeyBDNFCYGOLQPLTO-UHFFFAOYSA-N
MW283.24 g/mol
LogP-0.86
Rot. Bonds7

About 5-(1-azidoethenyl)-1-(1,3-dihydroxypropan-2-yloxymethyl)pyrimidine-2,4-dione

5-(1-azidoethenyl)-1-(1,3-dihydroxypropan-2-yloxymethyl)pyrimidine-2,4-dione (PubChem CID 3003709) has the molecular formula C10H13N5O5 and a molecular weight of 283.24 g/mol. Its IUPAC name is 5-(1-azidoethenyl)-1-(1,3-dihydroxypropan-2-yloxymethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-(1-azidoethenyl)-1-(1,3-dihydroxypropan-2-yloxymethyl)pyrimidine-2,4-dione
PubChem CID3003709
Molecular FormulaC10H13N5O5
Molecular Weight283.24 g/mol
Exact Mass283.09
IUPAC Name5-(1-azidoethenyl)-1-(1,3-dihydroxypropan-2-yloxymethyl)pyrimidine-2,4-dione
SMILESC=C(N=[N+]=[N-])c1cn(COC(CO)CO)c(=O)[nH]c1=O
InChIInChI=1S/C10H13N5O5/c1-6(13-14-11)8-2-15(10(19)12-9(8)18)5-20-7(3-16)4-17/h2,7,16-17H,1,3-5H2,(H,12,18,19)
InChIKeyBDNFCYGOLQPLTO-UHFFFAOYSA-N
XLogP-0.86
TPSA153.31 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.24
LogP ≤ 5-0.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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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Frequently Asked Questions

What is the IUPAC name of 5-(1-azidoethenyl)-1-(1,3-dihydroxypropan-2-yloxymethyl)pyrimidine-2,4-dione?
The IUPAC name of 5-(1-azidoethenyl)-1-(1,3-dihydroxypropan-2-yloxymethyl)pyrimidine-2,4-dione (CID 3003709) is 5-(1-azidoethenyl)-1-(1,3-dihydroxypropan-2-yloxymethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 5-(1-azidoethenyl)-1-(1,3-dihydroxypropan-2-yloxymethyl)pyrimidine-2,4-dione?
The canonical SMILES for 5-(1-azidoethenyl)-1-(1,3-dihydroxypropan-2-yloxymethyl)pyrimidine-2,4-dione is C=C(N=[N+]=[N-])c1cn(COC(CO)CO)c(=O)[nH]c1=O.
What is the InChIKey of 5-(1-azidoethenyl)-1-(1,3-dihydroxypropan-2-yloxymethyl)pyrimidine-2,4-dione?
The InChIKey is BDNFCYGOLQPLTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O5/c1-6(13-14-11)8-2-15(10(19)12-9(8)18)5-20-7(3-16)4-17/h2,7,16-17H,1,3-5H2,(H,12,18,19).
What are the key properties of 5-(1-azidoethenyl)-1-(1,3-dihydroxypropan-2-yloxymethyl)pyrimidine-2,4-dione?
5-(1-azidoethenyl)-1-(1,3-dihydroxypropan-2-yloxymethyl)pyrimidine-2,4-dione has a molecular weight of 283.24 g/mol, XLogP of -0.86, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-azidoethenyl)-1-(1,3-dihydroxypropan-2-yloxymethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 3003709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).