5-(4-amino-2-hydroxy-2H-pyrimidin-1-yl)-2-(chloromethyl)-2-(hydroxymethyl)oxolane-3,4-diol

C10H16ClN3O5 — CID 123232279

IUPAC5-(4-amino-2-hydroxy-2H-pyrimidin-1-yl)-2-(chloromethyl)-2-(hydroxymethyl)oxolane-3,4-diol
SMILESNC1=NC(O)N(C2OC(CO)(CCl)C(O)C2O)C=C1
InChIInChI=1S/C10H16ClN3O5/c11-3-10(4-15)7(17)6(16)8(19-10)14-2-1-5(12)13-9(14)18/h1-2,6-9,15-18H,3-4H2,(H2,12,13)
InChIKeyBXJNFTWXLLRNKE-UHFFFAOYSA-N
MW293.71 g/mol
LogP-2.50
Rot. Bonds3

About 5-(4-amino-2-hydroxy-2H-pyrimidin-1-yl)-2-(chloromethyl)-2-(hydroxymethyl)oxolane-3,4-diol

5-(4-amino-2-hydroxy-2H-pyrimidin-1-yl)-2-(chloromethyl)-2-(hydroxymethyl)oxolane-3,4-diol (PubChem CID 123232279) has the molecular formula C10H16ClN3O5 and a molecular weight of 293.71 g/mol. Its IUPAC name is 5-(4-amino-2-hydroxy-2H-pyrimidin-1-yl)-2-(chloromethyl)-2-(hydroxymethyl)oxolane-3,4-diol.

Molecular Properties

Compound Name5-(4-amino-2-hydroxy-2H-pyrimidin-1-yl)-2-(chloromethyl)-2-(hydroxymethyl)oxolane-3,4-diol
PubChem CID123232279
Molecular FormulaC10H16ClN3O5
Molecular Weight293.71 g/mol
Exact Mass293.08
IUPAC Name5-(4-amino-2-hydroxy-2H-pyrimidin-1-yl)-2-(chloromethyl)-2-(hydroxymethyl)oxolane-3,4-diol
SMILESNC1=NC(O)N(C2OC(CO)(CCl)C(O)C2O)C=C1
InChIInChI=1S/C10H16ClN3O5/c11-3-10(4-15)7(17)6(16)8(19-10)14-2-1-5(12)13-9(14)18/h1-2,6-9,15-18H,3-4H2,(H2,12,13)
InChIKeyBXJNFTWXLLRNKE-UHFFFAOYSA-N
XLogP-2.50
TPSA131.77 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.71
LogP ≤ 5-2.50
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 5-(4-amino-2-hydroxy-2H-pyrimidin-1-yl)-2-(chloromethyl)-2-(hydroxymethyl)oxolane-3,4-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(4-amino-2-hydroxy-2H-pyrimidin-1-yl)-2-(chloromethyl)-2-(hydroxymethyl)oxolane-3,4-diol?
The IUPAC name of 5-(4-amino-2-hydroxy-2H-pyrimidin-1-yl)-2-(chloromethyl)-2-(hydroxymethyl)oxolane-3,4-diol (CID 123232279) is 5-(4-amino-2-hydroxy-2H-pyrimidin-1-yl)-2-(chloromethyl)-2-(hydroxymethyl)oxolane-3,4-diol.
What is the SMILES notation for 5-(4-amino-2-hydroxy-2H-pyrimidin-1-yl)-2-(chloromethyl)-2-(hydroxymethyl)oxolane-3,4-diol?
The canonical SMILES for 5-(4-amino-2-hydroxy-2H-pyrimidin-1-yl)-2-(chloromethyl)-2-(hydroxymethyl)oxolane-3,4-diol is NC1=NC(O)N(C2OC(CO)(CCl)C(O)C2O)C=C1.
What is the InChIKey of 5-(4-amino-2-hydroxy-2H-pyrimidin-1-yl)-2-(chloromethyl)-2-(hydroxymethyl)oxolane-3,4-diol?
The InChIKey is BXJNFTWXLLRNKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3O5/c11-3-10(4-15)7(17)6(16)8(19-10)14-2-1-5(12)13-9(14)18/h1-2,6-9,15-18H,3-4H2,(H2,12,13).
What are the key properties of 5-(4-amino-2-hydroxy-2H-pyrimidin-1-yl)-2-(chloromethyl)-2-(hydroxymethyl)oxolane-3,4-diol?
5-(4-amino-2-hydroxy-2H-pyrimidin-1-yl)-2-(chloromethyl)-2-(hydroxymethyl)oxolane-3,4-diol has a molecular weight of 293.71 g/mol, XLogP of -2.50, 3 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-amino-2-hydroxy-2H-pyrimidin-1-yl)-2-(chloromethyl)-2-(hydroxymethyl)oxolane-3,4-diol is sourced from PubChem (CID 123232279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).