4-amino-1-[(2-hydroxy-2-oxo-1,4,2λ5-dioxaphosphinan-5-yl)methyl]-1,3,5-triazin-2-one;ethane

C9H17N4O5P — CID 143480780

IUPAC4-amino-1-[(2-hydroxy-2-oxo-1,4,2λ5-dioxaphosphinan-5-yl)methyl]-1,3,5-triazin-2-one;ethane
SMILESCC.Nc1ncn(CC2COP(=O)(O)CO2)c(=O)n1
InChIInChI=1S/C7H11N4O5P.C2H6/c8-6-9-3-11(7(12)10-6)1-5-2-16-17(13,14)4-15-5;1-2/h3,5H,1-2,4H2,(H,13,14)(H2,8,10,12);1-2H3
InChIKeyOGHWCDVJCFAHNX-UHFFFAOYSA-N
MW292.23 g/mol
LogP-0.19
Rot. Bonds2

About 4-amino-1-[(2-hydroxy-2-oxo-1,4,2λ5-dioxaphosphinan-5-yl)methyl]-1,3,5-triazin-2-one;ethane

4-amino-1-[(2-hydroxy-2-oxo-1,4,2λ5-dioxaphosphinan-5-yl)methyl]-1,3,5-triazin-2-one;ethane (PubChem CID 143480780) has the molecular formula C9H17N4O5P and a molecular weight of 292.23 g/mol. Its IUPAC name is 4-amino-1-[(2-hydroxy-2-oxo-1,4,2λ5-dioxaphosphinan-5-yl)methyl]-1,3,5-triazin-2-one;ethane.

Molecular Properties

Compound Name4-amino-1-[(2-hydroxy-2-oxo-1,4,2λ5-dioxaphosphinan-5-yl)methyl]-1,3,5-triazin-2-one;ethane
PubChem CID143480780
Molecular FormulaC9H17N4O5P
Molecular Weight292.23 g/mol
Exact Mass292.09
IUPAC Name4-amino-1-[(2-hydroxy-2-oxo-1,4,2λ5-dioxaphosphinan-5-yl)methyl]-1,3,5-triazin-2-one;ethane
SMILESCC.Nc1ncn(CC2COP(=O)(O)CO2)c(=O)n1
InChIInChI=1S/C7H11N4O5P.C2H6/c8-6-9-3-11(7(12)10-6)1-5-2-16-17(13,14)4-15-5;1-2/h3,5H,1-2,4H2,(H,13,14)(H2,8,10,12);1-2H3
InChIKeyOGHWCDVJCFAHNX-UHFFFAOYSA-N
XLogP-0.19
TPSA129.56 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.23
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

4-amino-1-[(2-hydroxy-2-oxo-1,3,2λ5-dioxaphospholan-4-yl)methyl]pyrimidin-2-one
CID 23263317
4-amino-1-[[3,4-dihydroxy-5-(hydroxymethyl)oxolan-3-yl]methyl]-1,3,5-triazin-2-one
CID 123521355
4-amino-1-(morpholin-3-ylmethyl)-1,3,5-triazin-2-one
CID 57264933
4-amino-1-[(2-methylpyrrolidin-3-yl)methyl]-1,3,5-triazin-2-one
CID 57199729
ethyl (2S)-2-[[(5S)-5-[(4-amino-2-oxopyrimidin-1-yl)methyl]-2-oxo-1,4,2lambda5-dioxaphosphinan-2-yl]amino]propanoate
CID 3006314
2-[[(5R)-5-[(4-amino-2-oxopyrimidin-1-yl)methyl]-2-oxo-1,4,2lambda5-dioxaphosphinan-2-yl]oxy]ethyl 2-amino-3-methylbutanoate
CID 16659103
pentyl (2S)-2-[[(5S)-5-[(4-amino-2-oxopyrimidin-1-yl)methyl]-2-oxo-1,4,2λ5-dioxaphosphinan-2-yl]amino]-3-methylbutanoate;sulfane
CID 158276277
pentyl (2S)-2-[[(5S)-5-[(4-amino-2-oxopyrimidin-1-yl)methyl]-2-oxo-1,4,2λ5-dioxaphosphinan-2-yl]amino]-3-methylpentanoate
CID 142433108
4-amino-1-[(2S,3S,4R)-3,4-dihydroxy-2-(hydroxymethyl)oxolan-2-yl]-1,3,5-triazin-2-one
CID 123436693
4-amino-1-[(2-methyl-1,3-oxazol-4-yl)methyl]-1,3,5-triazin-2-one
CID 57241906
2-[[(5S)-5-[(4-amino-2-oxopyrimidin-1-yl)methyl]-2-oxo-1,4,2λ5-dioxaphosphinan-2-yl]amino]-3-phenylpropanoic acid
CID 135336769
9-[[2-[2-(15-methylhexadecoxy)ethoxy]-2-oxo-1,4,2λ5-dioxaphosphinan-5-yl]methyl]purin-6-amine
CID 24969806

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[(2-hydroxy-2-oxo-1,4,2λ5-dioxaphosphinan-5-yl)methyl]-1,3,5-triazin-2-one;ethane?
The IUPAC name of 4-amino-1-[(2-hydroxy-2-oxo-1,4,2λ5-dioxaphosphinan-5-yl)methyl]-1,3,5-triazin-2-one;ethane (CID 143480780) is 4-amino-1-[(2-hydroxy-2-oxo-1,4,2λ5-dioxaphosphinan-5-yl)methyl]-1,3,5-triazin-2-one;ethane.
What is the SMILES notation for 4-amino-1-[(2-hydroxy-2-oxo-1,4,2λ5-dioxaphosphinan-5-yl)methyl]-1,3,5-triazin-2-one;ethane?
The canonical SMILES for 4-amino-1-[(2-hydroxy-2-oxo-1,4,2λ5-dioxaphosphinan-5-yl)methyl]-1,3,5-triazin-2-one;ethane is CC.Nc1ncn(CC2COP(=O)(O)CO2)c(=O)n1.
What is the InChIKey of 4-amino-1-[(2-hydroxy-2-oxo-1,4,2λ5-dioxaphosphinan-5-yl)methyl]-1,3,5-triazin-2-one;ethane?
The InChIKey is OGHWCDVJCFAHNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N4O5P.C2H6/c8-6-9-3-11(7(12)10-6)1-5-2-16-17(13,14)4-15-5;1-2/h3,5H,1-2,4H2,(H,13,14)(H2,8,10,12);1-2H3.
What are the key properties of 4-amino-1-[(2-hydroxy-2-oxo-1,4,2λ5-dioxaphosphinan-5-yl)methyl]-1,3,5-triazin-2-one;ethane?
4-amino-1-[(2-hydroxy-2-oxo-1,4,2λ5-dioxaphosphinan-5-yl)methyl]-1,3,5-triazin-2-one;ethane has a molecular weight of 292.23 g/mol, XLogP of -0.19, 2 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[(2-hydroxy-2-oxo-1,4,2λ5-dioxaphosphinan-5-yl)methyl]-1,3,5-triazin-2-one;ethane is sourced from PubChem (CID 143480780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).