3-azido-1-(5-hydroxypyrimidin-2-yl)propane-1,2-diol

C7H9N5O3 — CID 170825484

IUPAC3-azido-1-(5-hydroxypyrimidin-2-yl)propane-1,2-diol
SMILES[N-]=[N+]=NCC(O)C(O)c1ncc(O)cn1
InChIInChI=1S/C7H9N5O3/c8-12-11-3-5(14)6(15)7-9-1-4(13)2-10-7/h1-2,5-6,13-15H,3H2
InChIKeyALUMPVCDNDAEIZ-UHFFFAOYSA-N
MW211.18 g/mol
LogP-0.11
Rot. Bonds4

About 3-azido-1-(5-hydroxypyrimidin-2-yl)propane-1,2-diol

3-azido-1-(5-hydroxypyrimidin-2-yl)propane-1,2-diol (PubChem CID 170825484) has the molecular formula C7H9N5O3 and a molecular weight of 211.18 g/mol. Its IUPAC name is 3-azido-1-(5-hydroxypyrimidin-2-yl)propane-1,2-diol.

Molecular Properties

Compound Name3-azido-1-(5-hydroxypyrimidin-2-yl)propane-1,2-diol
PubChem CID170825484
Molecular FormulaC7H9N5O3
Molecular Weight211.18 g/mol
Exact Mass211.07
IUPAC Name3-azido-1-(5-hydroxypyrimidin-2-yl)propane-1,2-diol
SMILES[N-]=[N+]=NCC(O)C(O)c1ncc(O)cn1
InChIInChI=1S/C7H9N5O3/c8-12-11-3-5(14)6(15)7-9-1-4(13)2-10-7/h1-2,5-6,13-15H,3H2
InChIKeyALUMPVCDNDAEIZ-UHFFFAOYSA-N
XLogP-0.11
TPSA135.23 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.18
LogP ≤ 5-0.11
H-Bond Donors ≤ 53
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

3-azido-1-(5-hydroxy-2-pyridinyl)propane-1,2-diol
CID 170825528
3-azido-1-(2-fluoropyrimidin-5-yl)propane-1,2-diol
CID 170825462
3-azido-1-(5-methyl-2-pyridinyl)propane-1,2-diol
CID 170825513
5-(3-azido-1,2-dihydroxypropyl)pyridine-2-carboxylic acid
CID 170826111
5-(3-azido-1,2-dihydroxypropyl)pyridine-2-carbonitrile
CID 170825675
4-azido-1-(5-hydroxy-2-pyridinyl)butane-1,2-diol
CID 171878971
1-[6-(3-azido-1,2-dihydroxypropyl)-3-pyridinyl]ethanone
CID 170826144
3-azido-1-(2-bromo-3-pyridinyl)propane-1,2-diol
CID 170827081
3-azido-1-(3-bromo-4-pyridinyl)propane-1,2-diol
CID 170827435
3-azido-1-(3-hydroxy-6-methyl-2-pyridinyl)propane-1,2-diol
CID 170825809
1-(5-amino-2-methyl-3-pyridinyl)-3-azidopropane-1,2-diol
CID 170825677
3-azido-1-(1H-pyrrolo[3,2-b]pyridin-6-yl)propane-1,2-diol
CID 170826180

Frequently Asked Questions

What is the IUPAC name of 3-azido-1-(5-hydroxypyrimidin-2-yl)propane-1,2-diol?
The IUPAC name of 3-azido-1-(5-hydroxypyrimidin-2-yl)propane-1,2-diol (CID 170825484) is 3-azido-1-(5-hydroxypyrimidin-2-yl)propane-1,2-diol.
What is the SMILES notation for 3-azido-1-(5-hydroxypyrimidin-2-yl)propane-1,2-diol?
The canonical SMILES for 3-azido-1-(5-hydroxypyrimidin-2-yl)propane-1,2-diol is [N-]=[N+]=NCC(O)C(O)c1ncc(O)cn1.
What is the InChIKey of 3-azido-1-(5-hydroxypyrimidin-2-yl)propane-1,2-diol?
The InChIKey is ALUMPVCDNDAEIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N5O3/c8-12-11-3-5(14)6(15)7-9-1-4(13)2-10-7/h1-2,5-6,13-15H,3H2.
What are the key properties of 3-azido-1-(5-hydroxypyrimidin-2-yl)propane-1,2-diol?
3-azido-1-(5-hydroxypyrimidin-2-yl)propane-1,2-diol has a molecular weight of 211.18 g/mol, XLogP of -0.11, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-azido-1-(5-hydroxypyrimidin-2-yl)propane-1,2-diol is sourced from PubChem (CID 170825484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).