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

C9H16N5NaO3 — CID 173273498

IUPACsodium;2-amino-9-[3-hydroxy-2-(hydroxymethyl)propyl]-7,8-dihydro-1H-purin-6-one;hydride
SMILESNc1nc2c(c(=O)[nH]1)NCN2CC(CO)CO.[H-].[Na+]
InChIInChI=1S/C9H15N5O3.Na.H/c10-9-12-7-6(8(17)13-9)11-4-14(7)1-5(2-15)3-16;;/h5,11,15-16H,1-4H2,(H3,10,12,13,17);;/q;+1;-1
InChIKeyBQBIBPYXCLJDFP-UHFFFAOYSA-N
MW265.25 g/mol
LogP-4.74
Rot. Bonds4

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

sodium;2-amino-9-[3-hydroxy-2-(hydroxymethyl)propyl]-7,8-dihydro-1H-purin-6-one;hydride (PubChem CID 173273498) has the molecular formula C9H16N5NaO3 and a molecular weight of 265.25 g/mol. Its IUPAC name is sodium;2-amino-9-[3-hydroxy-2-(hydroxymethyl)propyl]-7,8-dihydro-1H-purin-6-one;hydride.

Molecular Properties

Compound Namesodium;2-amino-9-[3-hydroxy-2-(hydroxymethyl)propyl]-7,8-dihydro-1H-purin-6-one;hydride
PubChem CID173273498
Molecular FormulaC9H16N5NaO3
Molecular Weight265.25 g/mol
Exact Mass265.12
IUPAC Namesodium;2-amino-9-[3-hydroxy-2-(hydroxymethyl)propyl]-7,8-dihydro-1H-purin-6-one;hydride
SMILESNc1nc2c(c(=O)[nH]1)NCN2CC(CO)CO.[H-].[Na+]
InChIInChI=1S/C9H15N5O3.Na.H/c10-9-12-7-6(8(17)13-9)11-4-14(7)1-5(2-15)3-16;;/h5,11,15-16H,1-4H2,(H3,10,12,13,17);;/q;+1;-1
InChIKeyBQBIBPYXCLJDFP-UHFFFAOYSA-N
XLogP-4.74
TPSA127.50 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.25
LogP ≤ 5-4.74
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of sodium;2-amino-9-[3-hydroxy-2-(hydroxymethyl)propyl]-7,8-dihydro-1H-purin-6-one;hydride?
The IUPAC name of sodium;2-amino-9-[3-hydroxy-2-(hydroxymethyl)propyl]-7,8-dihydro-1H-purin-6-one;hydride (CID 173273498) is sodium;2-amino-9-[3-hydroxy-2-(hydroxymethyl)propyl]-7,8-dihydro-1H-purin-6-one;hydride.
What is the SMILES notation for sodium;2-amino-9-[3-hydroxy-2-(hydroxymethyl)propyl]-7,8-dihydro-1H-purin-6-one;hydride?
The canonical SMILES for sodium;2-amino-9-[3-hydroxy-2-(hydroxymethyl)propyl]-7,8-dihydro-1H-purin-6-one;hydride is Nc1nc2c(c(=O)[nH]1)NCN2CC(CO)CO.[H-].[Na+].
What is the InChIKey of sodium;2-amino-9-[3-hydroxy-2-(hydroxymethyl)propyl]-7,8-dihydro-1H-purin-6-one;hydride?
The InChIKey is BQBIBPYXCLJDFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O3.Na.H/c10-9-12-7-6(8(17)13-9)11-4-14(7)1-5(2-15)3-16;;/h5,11,15-16H,1-4H2,(H3,10,12,13,17);;/q;+1;-1.
What are the key properties of sodium;2-amino-9-[3-hydroxy-2-(hydroxymethyl)propyl]-7,8-dihydro-1H-purin-6-one;hydride?
sodium;2-amino-9-[3-hydroxy-2-(hydroxymethyl)propyl]-7,8-dihydro-1H-purin-6-one;hydride has a molecular weight of 265.25 g/mol, XLogP of -4.74, 4 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;2-amino-9-[3-hydroxy-2-(hydroxymethyl)propyl]-7,8-dihydro-1H-purin-6-one;hydride is sourced from PubChem (CID 173273498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).