hydroxy-[(1S,2R,4R)-2-(hydroxymethyl)-4-[methyl(1,3,5-triazin-2-yl)amino]cyclopentyl]oxy-oxophosphanium

C10H16N4O4P+ — CID 142588248

IUPAChydroxy-[(1S,2R,4R)-2-(hydroxymethyl)-4-[methyl(1,3,5-triazin-2-yl)amino]cyclopentyl]oxy-oxophosphanium
SMILESCN(c1ncncn1)[C@@H]1C[C@H](CO)[C@@H](O[P+](=O)O)C1
InChIInChI=1S/C10H15N4O4P/c1-14(10-12-5-11-6-13-10)8-2-7(4-15)9(3-8)18-19(16)17/h5-9,15H,2-4H2,1H3/p+1/t7-,8-,9+/m1/s1
InChIKeyQHILVMUBWRDCRO-HLTSFMKQSA-O
MW287.24 g/mol
LogP0.11
Rot. Bonds5

About hydroxy-[(1S,2R,4R)-2-(hydroxymethyl)-4-[methyl(1,3,5-triazin-2-yl)amino]cyclopentyl]oxy-oxophosphanium

hydroxy-[(1S,2R,4R)-2-(hydroxymethyl)-4-[methyl(1,3,5-triazin-2-yl)amino]cyclopentyl]oxy-oxophosphanium (PubChem CID 142588248) has the molecular formula C10H16N4O4P+ and a molecular weight of 287.24 g/mol. Its IUPAC name is hydroxy-[(1S,2R,4R)-2-(hydroxymethyl)-4-[methyl(1,3,5-triazin-2-yl)amino]cyclopentyl]oxy-oxophosphanium.

Molecular Properties

Compound Namehydroxy-[(1S,2R,4R)-2-(hydroxymethyl)-4-[methyl(1,3,5-triazin-2-yl)amino]cyclopentyl]oxy-oxophosphanium
PubChem CID142588248
Molecular FormulaC10H16N4O4P+
Molecular Weight287.24 g/mol
Exact Mass287.09
IUPAC Namehydroxy-[(1S,2R,4R)-2-(hydroxymethyl)-4-[methyl(1,3,5-triazin-2-yl)amino]cyclopentyl]oxy-oxophosphanium
SMILESCN(c1ncncn1)[C@@H]1C[C@H](CO)[C@@H](O[P+](=O)O)C1
InChIInChI=1S/C10H15N4O4P/c1-14(10-12-5-11-6-13-10)8-2-7(4-15)9(3-8)18-19(16)17/h5-9,15H,2-4H2,1H3/p+1/t7-,8-,9+/m1/s1
InChIKeyQHILVMUBWRDCRO-HLTSFMKQSA-O
XLogP0.11
TPSA108.67 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.24
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of hydroxy-[(1S,2R,4R)-2-(hydroxymethyl)-4-[methyl(1,3,5-triazin-2-yl)amino]cyclopentyl]oxy-oxophosphanium?
The IUPAC name of hydroxy-[(1S,2R,4R)-2-(hydroxymethyl)-4-[methyl(1,3,5-triazin-2-yl)amino]cyclopentyl]oxy-oxophosphanium (CID 142588248) is hydroxy-[(1S,2R,4R)-2-(hydroxymethyl)-4-[methyl(1,3,5-triazin-2-yl)amino]cyclopentyl]oxy-oxophosphanium.
What is the SMILES notation for hydroxy-[(1S,2R,4R)-2-(hydroxymethyl)-4-[methyl(1,3,5-triazin-2-yl)amino]cyclopentyl]oxy-oxophosphanium?
The canonical SMILES for hydroxy-[(1S,2R,4R)-2-(hydroxymethyl)-4-[methyl(1,3,5-triazin-2-yl)amino]cyclopentyl]oxy-oxophosphanium is CN(c1ncncn1)[C@@H]1C[C@H](CO)[C@@H](O[P+](=O)O)C1.
What is the InChIKey of hydroxy-[(1S,2R,4R)-2-(hydroxymethyl)-4-[methyl(1,3,5-triazin-2-yl)amino]cyclopentyl]oxy-oxophosphanium?
The InChIKey is QHILVMUBWRDCRO-HLTSFMKQSA-O. The full InChI is InChI=1S/C10H15N4O4P/c1-14(10-12-5-11-6-13-10)8-2-7(4-15)9(3-8)18-19(16)17/h5-9,15H,2-4H2,1H3/p+1/t7-,8-,9+/m1/s1.
What are the key properties of hydroxy-[(1S,2R,4R)-2-(hydroxymethyl)-4-[methyl(1,3,5-triazin-2-yl)amino]cyclopentyl]oxy-oxophosphanium?
hydroxy-[(1S,2R,4R)-2-(hydroxymethyl)-4-[methyl(1,3,5-triazin-2-yl)amino]cyclopentyl]oxy-oxophosphanium has a molecular weight of 287.24 g/mol, XLogP of 0.11, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-[(1S,2R,4R)-2-(hydroxymethyl)-4-[methyl(1,3,5-triazin-2-yl)amino]cyclopentyl]oxy-oxophosphanium is sourced from PubChem (CID 142588248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).