[5-[4-amino-5-(2-aminoethyl)-2-oxopyrimidin-1-yl]oxolan-2-yl]methoxythallium

C11H17N4O3Tl — CID 153392821

IUPAC[5-[4-amino-5-(2-aminoethyl)-2-oxopyrimidin-1-yl]oxolan-2-yl]methoxythallium
SMILESNCCc1cn(C2CCC(CO[Tl])O2)c(=O)nc1N
InChIInChI=1S/C11H17N4O3.Tl/c12-4-3-7-5-15(11(17)14-10(7)13)9-2-1-8(6-16)18-9;/h5,8-9H,1-4,6,12H2,(H2,13,14,17);/q-1;+1
InChIKeyLECYOINAOSVGPR-UHFFFAOYSA-N
MW457.67 g/mol
LogP-0.90
Rot. Bonds5

About [5-[4-amino-5-(2-aminoethyl)-2-oxopyrimidin-1-yl]oxolan-2-yl]methoxythallium

[5-[4-amino-5-(2-aminoethyl)-2-oxopyrimidin-1-yl]oxolan-2-yl]methoxythallium (PubChem CID 153392821) has the molecular formula C11H17N4O3Tl and a molecular weight of 457.67 g/mol. Its IUPAC name is [5-[4-amino-5-(2-aminoethyl)-2-oxopyrimidin-1-yl]oxolan-2-yl]methoxythallium.

Molecular Properties

Compound Name[5-[4-amino-5-(2-aminoethyl)-2-oxopyrimidin-1-yl]oxolan-2-yl]methoxythallium
PubChem CID153392821
Molecular FormulaC11H17N4O3Tl
Molecular Weight457.67 g/mol
Exact Mass458.10
IUPAC Name[5-[4-amino-5-(2-aminoethyl)-2-oxopyrimidin-1-yl]oxolan-2-yl]methoxythallium
SMILESNCCc1cn(C2CCC(CO[Tl])O2)c(=O)nc1N
InChIInChI=1S/C11H17N4O3.Tl/c12-4-3-7-5-15(11(17)14-10(7)13)9-2-1-8(6-16)18-9;/h5,8-9H,1-4,6,12H2,(H2,13,14,17);/q-1;+1
InChIKeyLECYOINAOSVGPR-UHFFFAOYSA-N
XLogP-0.90
TPSA105.39 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.67
LogP ≤ 5-0.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [5-[4-amino-5-(2-aminoethyl)-2-oxopyrimidin-1-yl]oxolan-2-yl]methoxythallium with MolForge

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Related Compounds

4-amino-5-bromo-1-[(2R)-5-(methoxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 118151131
4-amino-1-[5-(2-hydroxyethyl)oxolan-2-yl]-5-(hydroxymethyl)pyrimidin-2-one
CID 139418555
[5-(4-amino-5-fluoro-2-oxopyrimidin-1-yl)oxolan-2-yl]methyl 2-methylpropanoate;fluoromethane
CID 164882274
4-amino-1-[(2R,5R)-5-ethyloxolan-2-yl]-5-methylpyrimidin-2-one
CID 164835462
[5-(4-amino-5-fluoro-2-oxopyrimidin-1-yl)oxolan-2-yl]methyl 3-methylbutanoate
CID 178041271
4-amino-1-[(5S)-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidin-2-one
CID 71158798
4-amino-5-fluoro-1-[5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;ethane
CID 160959975
4-amino-1-[(2R)-5-(methoxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 174252906
[5-[4-amino-2-oxo-5-(phenylmethoxymethyl)pyrimidin-1-yl]oxolan-2-yl]methyl 4-methylbenzoate
CID 14886485
[(2S,5R)-5-(4-amino-5-chloro-2-oxopyrimidin-1-yl)oxolan-2-yl]methyl phosphono hydrogen phosphate
CID 164881742
4-amino-5-[(E)-3-aminoprop-1-enyl]-1-[5-(2-hydroxyethyl)oxolan-2-yl]pyrimidin-2-one
CID 139418551
4-amino-5-bromo-1-[5-(2-hydroxyethyl)oxolan-2-yl]pyrimidin-2-one
CID 139418545

Frequently Asked Questions

What is the IUPAC name of [5-[4-amino-5-(2-aminoethyl)-2-oxopyrimidin-1-yl]oxolan-2-yl]methoxythallium?
The IUPAC name of [5-[4-amino-5-(2-aminoethyl)-2-oxopyrimidin-1-yl]oxolan-2-yl]methoxythallium (CID 153392821) is [5-[4-amino-5-(2-aminoethyl)-2-oxopyrimidin-1-yl]oxolan-2-yl]methoxythallium.
What is the SMILES notation for [5-[4-amino-5-(2-aminoethyl)-2-oxopyrimidin-1-yl]oxolan-2-yl]methoxythallium?
The canonical SMILES for [5-[4-amino-5-(2-aminoethyl)-2-oxopyrimidin-1-yl]oxolan-2-yl]methoxythallium is NCCc1cn(C2CCC(CO[Tl])O2)c(=O)nc1N.
What is the InChIKey of [5-[4-amino-5-(2-aminoethyl)-2-oxopyrimidin-1-yl]oxolan-2-yl]methoxythallium?
The InChIKey is LECYOINAOSVGPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N4O3.Tl/c12-4-3-7-5-15(11(17)14-10(7)13)9-2-1-8(6-16)18-9;/h5,8-9H,1-4,6,12H2,(H2,13,14,17);/q-1;+1.
What are the key properties of [5-[4-amino-5-(2-aminoethyl)-2-oxopyrimidin-1-yl]oxolan-2-yl]methoxythallium?
[5-[4-amino-5-(2-aminoethyl)-2-oxopyrimidin-1-yl]oxolan-2-yl]methoxythallium has a molecular weight of 457.67 g/mol, XLogP of -0.90, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[4-amino-5-(2-aminoethyl)-2-oxopyrimidin-1-yl]oxolan-2-yl]methoxythallium is sourced from PubChem (CID 153392821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).