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

C9H14N4O4P+ — CID 142588340

IUPAChydroxy-[(1S,2R,4R)-2-(hydroxymethyl)-4-(1,3,5-triazin-2-ylamino)cyclopentyl]oxy-oxophosphanium
SMILESO=[P+](O)O[C@H]1C[C@H](Nc2ncncn2)C[C@@H]1CO
InChIInChI=1S/C9H13N4O4P/c14-3-6-1-7(2-8(6)17-18(15)16)13-9-11-4-10-5-12-9/h4-8,14H,1-3H2,(H-,10,11,12,13,15,16)/p+1/t6-,7-,8+/m1/s1
InChIKeyIQNJGZJQJCKBER-PRJMDXOYSA-O
MW273.21 g/mol
LogP0.09
Rot. Bonds5

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

hydroxy-[(1S,2R,4R)-2-(hydroxymethyl)-4-(1,3,5-triazin-2-ylamino)cyclopentyl]oxy-oxophosphanium (PubChem CID 142588340) has the molecular formula C9H14N4O4P+ and a molecular weight of 273.21 g/mol. Its IUPAC name is hydroxy-[(1S,2R,4R)-2-(hydroxymethyl)-4-(1,3,5-triazin-2-ylamino)cyclopentyl]oxy-oxophosphanium.

Molecular Properties

Compound Namehydroxy-[(1S,2R,4R)-2-(hydroxymethyl)-4-(1,3,5-triazin-2-ylamino)cyclopentyl]oxy-oxophosphanium
PubChem CID142588340
Molecular FormulaC9H14N4O4P+
Molecular Weight273.21 g/mol
Exact Mass273.07
IUPAC Namehydroxy-[(1S,2R,4R)-2-(hydroxymethyl)-4-(1,3,5-triazin-2-ylamino)cyclopentyl]oxy-oxophosphanium
SMILESO=[P+](O)O[C@H]1C[C@H](Nc2ncncn2)C[C@@H]1CO
InChIInChI=1S/C9H13N4O4P/c14-3-6-1-7(2-8(6)17-18(15)16)13-9-11-4-10-5-12-9/h4-8,14H,1-3H2,(H-,10,11,12,13,15,16)/p+1/t6-,7-,8+/m1/s1
InChIKeyIQNJGZJQJCKBER-PRJMDXOYSA-O
XLogP0.09
TPSA117.46 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.21
LogP ≤ 50.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze hydroxy-[(1S,2R,4R)-2-(hydroxymethyl)-4-(1,3,5-triazin-2-ylamino)cyclopentyl]oxy-oxophosphanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(1S,2R,4R)-4-[(5-fluoropyrimidin-4-yl)amino]-2-(hydroxymethyl)cyclopentyl]oxy-hydroxy-oxophosphanium;methane
CID 159052020
[4-[[(1R,3R,4S)-3-(hydroxymethyl)-4-tri(propan-2-yl)silyloxycyclopentyl]amino]pyrimidin-5-yl]-(1H-pyrazol-5-yl)methanone
CID 140753782
4-[(5-amino-6-chloropyrimidin-4-yl)amino]-2-(hydroxymethyl)cyclopentan-1-ol
CID 14104444
hydroxy-[(2R)-2-(hydroxymethyl)oxolan-3-yl]oxy-oxophosphanium
CID 177282139
[4-[[(1S,3S,4S)-3-(hydroxymethyl)-4-methylcyclopentyl]amino]pyrimidin-5-yl]-[4-(methoxymethyl)furan-2-yl]methanone
CID 118654209
[4-[[(1R,3R,4S)-3-(hydroxymethyl)-4-tri(propan-2-yl)silyloxycyclopentyl]amino]pyrimidin-5-yl]-(1-phenylpyrazol-3-yl)methanone
CID 140753724
[(2R,5R)-5-(carbamoylamino)-2-(hydroxymethyl)oxolan-3-yl]oxy-hydroxy-oxophosphanium
CID 174069338
(1S,2S,4R)-2-(hydroxymethyl)-4-[(6-methylpyrimidin-4-yl)amino]cyclopentan-1-ol
CID 59671218
[4-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-5-chlorothiophen-2-yl]-[4-[[(1R,3R,4S)-3-(hydroxymethyl)-4-tri(propan-2-yl)silyloxycyclopentyl]amino]pyrimidin-5-yl]methanone
CID 154404460
[(1S,2R,4R)-2-[[[(2R,3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-(hydroxymethyl)-2-[2-(2-methylpropanoylamino)-6-oxo-1H-purin-9-yl]oxolan-3-yl]oxy-(2-cyanoethoxy)phosphoryl]oxymethyl]-4-(pyrimidin-4-ylamino)cyclopentyl]oxy-hydroxy-oxophosphanium
CID 155663652
1-(4-methoxyphenyl)-4-(1,3,5-triazin-2-ylamino)pyrrolidin-2-one
CID 91771728
1-[2-chloro-5-[4-[[(1S,3S,4S)-3-(hydroxymethyl)-4-methylcyclopentyl]amino]pyrimidine-5-carbonyl]thiophen-3-yl]ethanone
CID 118654238

Frequently Asked Questions

What is the IUPAC name of hydroxy-[(1S,2R,4R)-2-(hydroxymethyl)-4-(1,3,5-triazin-2-ylamino)cyclopentyl]oxy-oxophosphanium?
The IUPAC name of hydroxy-[(1S,2R,4R)-2-(hydroxymethyl)-4-(1,3,5-triazin-2-ylamino)cyclopentyl]oxy-oxophosphanium (CID 142588340) is hydroxy-[(1S,2R,4R)-2-(hydroxymethyl)-4-(1,3,5-triazin-2-ylamino)cyclopentyl]oxy-oxophosphanium.
What is the SMILES notation for hydroxy-[(1S,2R,4R)-2-(hydroxymethyl)-4-(1,3,5-triazin-2-ylamino)cyclopentyl]oxy-oxophosphanium?
The canonical SMILES for hydroxy-[(1S,2R,4R)-2-(hydroxymethyl)-4-(1,3,5-triazin-2-ylamino)cyclopentyl]oxy-oxophosphanium is O=[P+](O)O[C@H]1C[C@H](Nc2ncncn2)C[C@@H]1CO.
What is the InChIKey of hydroxy-[(1S,2R,4R)-2-(hydroxymethyl)-4-(1,3,5-triazin-2-ylamino)cyclopentyl]oxy-oxophosphanium?
The InChIKey is IQNJGZJQJCKBER-PRJMDXOYSA-O. The full InChI is InChI=1S/C9H13N4O4P/c14-3-6-1-7(2-8(6)17-18(15)16)13-9-11-4-10-5-12-9/h4-8,14H,1-3H2,(H-,10,11,12,13,15,16)/p+1/t6-,7-,8+/m1/s1.
What are the key properties of hydroxy-[(1S,2R,4R)-2-(hydroxymethyl)-4-(1,3,5-triazin-2-ylamino)cyclopentyl]oxy-oxophosphanium?
hydroxy-[(1S,2R,4R)-2-(hydroxymethyl)-4-(1,3,5-triazin-2-ylamino)cyclopentyl]oxy-oxophosphanium has a molecular weight of 273.21 g/mol, XLogP of 0.09, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-[(1S,2R,4R)-2-(hydroxymethyl)-4-(1,3,5-triazin-2-ylamino)cyclopentyl]oxy-oxophosphanium is sourced from PubChem (CID 142588340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).