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

C11H20N4O4P+ — CID 158245744

IUPAChydroxy-[(1S,2R,4R)-2-(hydroxymethyl)-4-[methyl(1,3,5-triazin-2-yl)amino]cyclopentyl]oxy-oxophosphanium;methane
SMILESC.CN(c1ncncn1)[C@@H]1C[C@H](CO)[C@@H](O[P+](=O)O)C1
InChIInChI=1S/C10H15N4O4P.CH4/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;1H4/p+1/t7-,8-,9+;/m1./s1
InChIKeyLBJXUHKEXNKYHY-ZXKHYXLDSA-O
MW303.28 g/mol
LogP0.75
Rot. Bonds5

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

hydroxy-[(1S,2R,4R)-2-(hydroxymethyl)-4-[methyl(1,3,5-triazin-2-yl)amino]cyclopentyl]oxy-oxophosphanium;methane (PubChem CID 158245744) has the molecular formula C11H20N4O4P+ and a molecular weight of 303.28 g/mol. Its IUPAC name is hydroxy-[(1S,2R,4R)-2-(hydroxymethyl)-4-[methyl(1,3,5-triazin-2-yl)amino]cyclopentyl]oxy-oxophosphanium;methane.

Molecular Properties

Compound Namehydroxy-[(1S,2R,4R)-2-(hydroxymethyl)-4-[methyl(1,3,5-triazin-2-yl)amino]cyclopentyl]oxy-oxophosphanium;methane
PubChem CID158245744
Molecular FormulaC11H20N4O4P+
Molecular Weight303.28 g/mol
Exact Mass303.12
IUPAC Namehydroxy-[(1S,2R,4R)-2-(hydroxymethyl)-4-[methyl(1,3,5-triazin-2-yl)amino]cyclopentyl]oxy-oxophosphanium;methane
SMILESC.CN(c1ncncn1)[C@@H]1C[C@H](CO)[C@@H](O[P+](=O)O)C1
InChIInChI=1S/C10H15N4O4P.CH4/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;1H4/p+1/t7-,8-,9+;/m1./s1
InChIKeyLBJXUHKEXNKYHY-ZXKHYXLDSA-O
XLogP0.75
TPSA108.67 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.28
LogP ≤ 50.75
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;methane?
The IUPAC name of hydroxy-[(1S,2R,4R)-2-(hydroxymethyl)-4-[methyl(1,3,5-triazin-2-yl)amino]cyclopentyl]oxy-oxophosphanium;methane (CID 158245744) is hydroxy-[(1S,2R,4R)-2-(hydroxymethyl)-4-[methyl(1,3,5-triazin-2-yl)amino]cyclopentyl]oxy-oxophosphanium;methane.
What is the SMILES notation for hydroxy-[(1S,2R,4R)-2-(hydroxymethyl)-4-[methyl(1,3,5-triazin-2-yl)amino]cyclopentyl]oxy-oxophosphanium;methane?
The canonical SMILES for hydroxy-[(1S,2R,4R)-2-(hydroxymethyl)-4-[methyl(1,3,5-triazin-2-yl)amino]cyclopentyl]oxy-oxophosphanium;methane is C.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;methane?
The InChIKey is LBJXUHKEXNKYHY-ZXKHYXLDSA-O. The full InChI is InChI=1S/C10H15N4O4P.CH4/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;1H4/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;methane?
hydroxy-[(1S,2R,4R)-2-(hydroxymethyl)-4-[methyl(1,3,5-triazin-2-yl)amino]cyclopentyl]oxy-oxophosphanium;methane has a molecular weight of 303.28 g/mol, XLogP of 0.75, 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;methane is sourced from PubChem (CID 158245744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).