potassium;2-amino-9-[4-hydroxy-3-(hydroxymethyl)butyl]-7,8-dihydro-1H-purin-6-one;hydride

C10H18KN5O3 — CID 173246212

IUPACpotassium;2-amino-9-[4-hydroxy-3-(hydroxymethyl)butyl]-7,8-dihydro-1H-purin-6-one;hydride
SMILESNc1nc2c(c(=O)[nH]1)NCN2CCC(CO)CO.[H-].[K+]
InChIInChI=1S/C10H17N5O3.K.H/c11-10-13-8-7(9(18)14-10)12-5-15(8)2-1-6(3-16)4-17;;/h6,12,16-17H,1-5H2,(H3,11,13,14,18);;/q;+1;-1
InChIKeyVRFMCCSOESHETI-UHFFFAOYSA-N
MW295.38 g/mol
LogP-4.35
Rot. Bonds5

About potassium;2-amino-9-[4-hydroxy-3-(hydroxymethyl)butyl]-7,8-dihydro-1H-purin-6-one;hydride

potassium;2-amino-9-[4-hydroxy-3-(hydroxymethyl)butyl]-7,8-dihydro-1H-purin-6-one;hydride (PubChem CID 173246212) has the molecular formula C10H18KN5O3 and a molecular weight of 295.38 g/mol. Its IUPAC name is potassium;2-amino-9-[4-hydroxy-3-(hydroxymethyl)butyl]-7,8-dihydro-1H-purin-6-one;hydride.

Molecular Properties

Compound Namepotassium;2-amino-9-[4-hydroxy-3-(hydroxymethyl)butyl]-7,8-dihydro-1H-purin-6-one;hydride
PubChem CID173246212
Molecular FormulaC10H18KN5O3
Molecular Weight295.38 g/mol
Exact Mass295.10
IUPAC Namepotassium;2-amino-9-[4-hydroxy-3-(hydroxymethyl)butyl]-7,8-dihydro-1H-purin-6-one;hydride
SMILESNc1nc2c(c(=O)[nH]1)NCN2CCC(CO)CO.[H-].[K+]
InChIInChI=1S/C10H17N5O3.K.H/c11-10-13-8-7(9(18)14-10)12-5-15(8)2-1-6(3-16)4-17;;/h6,12,16-17H,1-5H2,(H3,11,13,14,18);;/q;+1;-1
InChIKeyVRFMCCSOESHETI-UHFFFAOYSA-N
XLogP-4.35
TPSA127.50 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 5-4.35
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of potassium;2-amino-9-[4-hydroxy-3-(hydroxymethyl)butyl]-7,8-dihydro-1H-purin-6-one;hydride?
The IUPAC name of potassium;2-amino-9-[4-hydroxy-3-(hydroxymethyl)butyl]-7,8-dihydro-1H-purin-6-one;hydride (CID 173246212) is potassium;2-amino-9-[4-hydroxy-3-(hydroxymethyl)butyl]-7,8-dihydro-1H-purin-6-one;hydride.
What is the SMILES notation for potassium;2-amino-9-[4-hydroxy-3-(hydroxymethyl)butyl]-7,8-dihydro-1H-purin-6-one;hydride?
The canonical SMILES for potassium;2-amino-9-[4-hydroxy-3-(hydroxymethyl)butyl]-7,8-dihydro-1H-purin-6-one;hydride is Nc1nc2c(c(=O)[nH]1)NCN2CCC(CO)CO.[H-].[K+].
What is the InChIKey of potassium;2-amino-9-[4-hydroxy-3-(hydroxymethyl)butyl]-7,8-dihydro-1H-purin-6-one;hydride?
The InChIKey is VRFMCCSOESHETI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O3.K.H/c11-10-13-8-7(9(18)14-10)12-5-15(8)2-1-6(3-16)4-17;;/h6,12,16-17H,1-5H2,(H3,11,13,14,18);;/q;+1;-1.
What are the key properties of potassium;2-amino-9-[4-hydroxy-3-(hydroxymethyl)butyl]-7,8-dihydro-1H-purin-6-one;hydride?
potassium;2-amino-9-[4-hydroxy-3-(hydroxymethyl)butyl]-7,8-dihydro-1H-purin-6-one;hydride has a molecular weight of 295.38 g/mol, XLogP of -4.35, 5 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;2-amino-9-[4-hydroxy-3-(hydroxymethyl)butyl]-7,8-dihydro-1H-purin-6-one;hydride is sourced from PubChem (CID 173246212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).