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

C10H17N3O5 — CID 90881402

IUPAC2-(4-amino-2-hydroxy-2H-pyrimidin-1-yl)-5-(1-hydroxyethyl)oxolane-3,4-diol
SMILESCC(O)C1OC(N2C=CC(N)=NC2O)C(O)C1O
InChIInChI=1S/C10H17N3O5/c1-4(14)8-6(15)7(16)9(18-8)13-3-2-5(11)12-10(13)17/h2-4,6-10,14-17H,1H3,(H2,11,12)
InChIKeyLVWVPDZFZKYRDN-UHFFFAOYSA-N
MW259.26 g/mol
LogP-2.72
Rot. Bonds2

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

2-(4-amino-2-hydroxy-2H-pyrimidin-1-yl)-5-(1-hydroxyethyl)oxolane-3,4-diol (PubChem CID 90881402) has the molecular formula C10H17N3O5 and a molecular weight of 259.26 g/mol. Its IUPAC name is 2-(4-amino-2-hydroxy-2H-pyrimidin-1-yl)-5-(1-hydroxyethyl)oxolane-3,4-diol.

Molecular Properties

Compound Name2-(4-amino-2-hydroxy-2H-pyrimidin-1-yl)-5-(1-hydroxyethyl)oxolane-3,4-diol
PubChem CID90881402
Molecular FormulaC10H17N3O5
Molecular Weight259.26 g/mol
Exact Mass259.12
IUPAC Name2-(4-amino-2-hydroxy-2H-pyrimidin-1-yl)-5-(1-hydroxyethyl)oxolane-3,4-diol
SMILESCC(O)C1OC(N2C=CC(N)=NC2O)C(O)C1O
InChIInChI=1S/C10H17N3O5/c1-4(14)8-6(15)7(16)9(18-8)13-3-2-5(11)12-10(13)17/h2-4,6-10,14-17H,1H3,(H2,11,12)
InChIKeyLVWVPDZFZKYRDN-UHFFFAOYSA-N
XLogP-2.72
TPSA131.77 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 5-2.72
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-2-hydroxy-2H-pyrimidin-1-yl)-5-(1-hydroxyethyl)oxolane-3,4-diol?
The IUPAC name of 2-(4-amino-2-hydroxy-2H-pyrimidin-1-yl)-5-(1-hydroxyethyl)oxolane-3,4-diol (CID 90881402) is 2-(4-amino-2-hydroxy-2H-pyrimidin-1-yl)-5-(1-hydroxyethyl)oxolane-3,4-diol.
What is the SMILES notation for 2-(4-amino-2-hydroxy-2H-pyrimidin-1-yl)-5-(1-hydroxyethyl)oxolane-3,4-diol?
The canonical SMILES for 2-(4-amino-2-hydroxy-2H-pyrimidin-1-yl)-5-(1-hydroxyethyl)oxolane-3,4-diol is CC(O)C1OC(N2C=CC(N)=NC2O)C(O)C1O.
What is the InChIKey of 2-(4-amino-2-hydroxy-2H-pyrimidin-1-yl)-5-(1-hydroxyethyl)oxolane-3,4-diol?
The InChIKey is LVWVPDZFZKYRDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O5/c1-4(14)8-6(15)7(16)9(18-8)13-3-2-5(11)12-10(13)17/h2-4,6-10,14-17H,1H3,(H2,11,12).
What are the key properties of 2-(4-amino-2-hydroxy-2H-pyrimidin-1-yl)-5-(1-hydroxyethyl)oxolane-3,4-diol?
2-(4-amino-2-hydroxy-2H-pyrimidin-1-yl)-5-(1-hydroxyethyl)oxolane-3,4-diol has a molecular weight of 259.26 g/mol, XLogP of -2.72, 2 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-2-hydroxy-2H-pyrimidin-1-yl)-5-(1-hydroxyethyl)oxolane-3,4-diol is sourced from PubChem (CID 90881402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).