sodium;hydride;8-(methoxymethyl)-1-methyl-3-(2-methylpropyl)-7H-purine-2,6-dione

C12H19N4NaO3 — CID 173252917

IUPACsodium;hydride;8-(methoxymethyl)-1-methyl-3-(2-methylpropyl)-7H-purine-2,6-dione
SMILESCOCc1nc2c([nH]1)c(=O)n(C)c(=O)n2CC(C)C.[H-].[Na+]
InChIInChI=1S/C12H18N4O3.Na.H/c1-7(2)5-16-10-9(11(17)15(3)12(16)18)13-8(14-10)6-19-4;;/h7H,5-6H2,1-4H3,(H,13,14);;/q;+1;-1
InChIKeyGOHZQPQZTDZGBI-UHFFFAOYSA-N
MW290.30 g/mol
LogP-2.66
Rot. Bonds4

About sodium;hydride;8-(methoxymethyl)-1-methyl-3-(2-methylpropyl)-7H-purine-2,6-dione

sodium;hydride;8-(methoxymethyl)-1-methyl-3-(2-methylpropyl)-7H-purine-2,6-dione (PubChem CID 173252917) has the molecular formula C12H19N4NaO3 and a molecular weight of 290.30 g/mol. Its IUPAC name is sodium;hydride;8-(methoxymethyl)-1-methyl-3-(2-methylpropyl)-7H-purine-2,6-dione.

Molecular Properties

Compound Namesodium;hydride;8-(methoxymethyl)-1-methyl-3-(2-methylpropyl)-7H-purine-2,6-dione
PubChem CID173252917
Molecular FormulaC12H19N4NaO3
Molecular Weight290.30 g/mol
Exact Mass290.14
IUPAC Namesodium;hydride;8-(methoxymethyl)-1-methyl-3-(2-methylpropyl)-7H-purine-2,6-dione
SMILESCOCc1nc2c([nH]1)c(=O)n(C)c(=O)n2CC(C)C.[H-].[Na+]
InChIInChI=1S/C12H18N4O3.Na.H/c1-7(2)5-16-10-9(11(17)15(3)12(16)18)13-8(14-10)6-19-4;;/h7H,5-6H2,1-4H3,(H,13,14);;/q;+1;-1
InChIKeyGOHZQPQZTDZGBI-UHFFFAOYSA-N
XLogP-2.66
TPSA81.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.30
LogP ≤ 5-2.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

8-bromo-1-methyl-3-(2-methylpropyl)-7H-purine-2,6-dione
CID 13224548
8-[(1-chloro-6,7-dimethoxyisoquinolin-4-yl)methyl]-1-methyl-3-(2-methylpropyl)-7H-purine-2,6-dione
CID 10226332
8-ethyl-1-(2-hydroxyethyl)-3-(2-methylpropyl)-7H-purine-2,6-dione
CID 19003755
4-[[1-methyl-3-(2-methylpropyl)-2,6-dioxo-7H-purin-8-yl]methyl]isoquinoline-6-carbonitrile
CID 69199350
8-(3-aminopropyl)-3-(3-methoxypropyl)-1-methyl-7H-purine-2,6-dione
CID 82465103
8-[(7-ethynylisoquinolin-4-yl)methyl]-1-methyl-3-(2-methylpropyl)-7H-purine-2,6-dione
CID 10200217
methanamine;1-methyl-3-(2-methylpropyl)-7H-purine-2,6-dione
CID 70150646
8-deuterio-1-methyl-3-(2-methylpropyl)-7H-purine-2,6-dione
CID 90843454
8-[chloro-(6,7-dimethoxyisoquinolin-4-yl)methyl]-1-methyl-3-(2-methylpropyl)-7H-purine-2,6-dione;hydrochloride
CID 22226509
(E)-3-[4-[1-methyl-3-(2-methylpropyl)-2,6-dioxo-7H-purin-8-yl]phenyl]prop-2-enoic acid
CID 6447879
3-(2-methoxyethyl)-1-methyl-8-(methylamino)-7H-purine-2,6-dione
CID 82465013
8-[(4-bromophenyl)methyl]-3-(2-methylpropyl)-1-(2-phenylmethoxyethyl)-7H-purine-2,6-dione
CID 102243600

Frequently Asked Questions

What is the IUPAC name of sodium;hydride;8-(methoxymethyl)-1-methyl-3-(2-methylpropyl)-7H-purine-2,6-dione?
The IUPAC name of sodium;hydride;8-(methoxymethyl)-1-methyl-3-(2-methylpropyl)-7H-purine-2,6-dione (CID 173252917) is sodium;hydride;8-(methoxymethyl)-1-methyl-3-(2-methylpropyl)-7H-purine-2,6-dione.
What is the SMILES notation for sodium;hydride;8-(methoxymethyl)-1-methyl-3-(2-methylpropyl)-7H-purine-2,6-dione?
The canonical SMILES for sodium;hydride;8-(methoxymethyl)-1-methyl-3-(2-methylpropyl)-7H-purine-2,6-dione is COCc1nc2c([nH]1)c(=O)n(C)c(=O)n2CC(C)C.[H-].[Na+].
What is the InChIKey of sodium;hydride;8-(methoxymethyl)-1-methyl-3-(2-methylpropyl)-7H-purine-2,6-dione?
The InChIKey is GOHZQPQZTDZGBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3.Na.H/c1-7(2)5-16-10-9(11(17)15(3)12(16)18)13-8(14-10)6-19-4;;/h7H,5-6H2,1-4H3,(H,13,14);;/q;+1;-1.
What are the key properties of sodium;hydride;8-(methoxymethyl)-1-methyl-3-(2-methylpropyl)-7H-purine-2,6-dione?
sodium;hydride;8-(methoxymethyl)-1-methyl-3-(2-methylpropyl)-7H-purine-2,6-dione has a molecular weight of 290.30 g/mol, XLogP of -2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;8-(methoxymethyl)-1-methyl-3-(2-methylpropyl)-7H-purine-2,6-dione is sourced from PubChem (CID 173252917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).