8-amino-7-(2-hydroxyethyl)-3-methylpurine-2,6-dione

C8H11N5O3 — CID 787610

IUPAC8-amino-7-(2-hydroxyethyl)-3-methylpurine-2,6-dione
SMILESCn1c(=O)[nH]c(=O)c2c1nc(N)n2CCO
InChIInChI=1S/C8H11N5O3/c1-12-5-4(6(15)11-8(12)16)13(2-3-14)7(9)10-5/h14H,2-3H2,1H3,(H2,9,10)(H,11,15,16)
InChIKeyGSNRUMCAPMPAMX-UHFFFAOYSA-N
MW225.21 g/mol
LogP-2.00
Rot. Bonds2

About 8-amino-7-(2-hydroxyethyl)-3-methylpurine-2,6-dione

8-amino-7-(2-hydroxyethyl)-3-methylpurine-2,6-dione (PubChem CID 787610) has the molecular formula C8H11N5O3 and a molecular weight of 225.21 g/mol. Its IUPAC name is 8-amino-7-(2-hydroxyethyl)-3-methylpurine-2,6-dione.

Molecular Properties

Compound Name8-amino-7-(2-hydroxyethyl)-3-methylpurine-2,6-dione
PubChem CID787610
Molecular FormulaC8H11N5O3
Molecular Weight225.21 g/mol
Exact Mass225.09
IUPAC Name8-amino-7-(2-hydroxyethyl)-3-methylpurine-2,6-dione
SMILESCn1c(=O)[nH]c(=O)c2c1nc(N)n2CCO
InChIInChI=1S/C8H11N5O3/c1-12-5-4(6(15)11-8(12)16)13(2-3-14)7(9)10-5/h14H,2-3H2,1H3,(H2,9,10)(H,11,15,16)
InChIKeyGSNRUMCAPMPAMX-UHFFFAOYSA-N
XLogP-2.00
TPSA118.93 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.21
LogP ≤ 5-2.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

8-amino-3-methyl-7-(2-methylprop-2-enyl)purine-2,6-dione
CID 776805
8-amino-7-ethyl-3-methylpurine-2,6-dione;ethenamine;molecular hydrogen
CID 143283838
8-amino-3-methyl-7-(2-morpholin-4-ylethyl)purine-2,6-dione
CID 66485145
8-amino-3-methyl-7-(3-phenylprop-2-enyl)purine-2,6-dione
CID 71946934
8-amino-7-[(3-chlorophenyl)methyl]-3-methylpurine-2,6-dione
CID 66485201
8-amino-7-[(2R)-butan-2-yl]-3-methylpurine-2,6-dione
CID 776144
7-(2,3-dihydroxypropyl)-8-hydrazinyl-3-methylpurine-2,6-dione
CID 3144865
8-bromo-7-(2,3-dihydroxypropyl)-3-methylpurine-2,6-dione
CID 3120017
8-amino-3-ethyl-7-methylpurine-2,6-dione
CID 82463984
8-bromo-7-[4-(8-bromo-3-methyl-2,6-dioxopurin-7-yl)butyl]-3-methylpurine-2,6-dione
CID 3736328
7-[(2R)-2,3-dihydroxypropyl]-3-methyl-8-(methylamino)purine-2,6-dione
CID 706629
8-bromo-3-methyl-7-propylpurine-2,6-dione
CID 747357

Frequently Asked Questions

What is the IUPAC name of 8-amino-7-(2-hydroxyethyl)-3-methylpurine-2,6-dione?
The IUPAC name of 8-amino-7-(2-hydroxyethyl)-3-methylpurine-2,6-dione (CID 787610) is 8-amino-7-(2-hydroxyethyl)-3-methylpurine-2,6-dione.
What is the SMILES notation for 8-amino-7-(2-hydroxyethyl)-3-methylpurine-2,6-dione?
The canonical SMILES for 8-amino-7-(2-hydroxyethyl)-3-methylpurine-2,6-dione is Cn1c(=O)[nH]c(=O)c2c1nc(N)n2CCO.
What is the InChIKey of 8-amino-7-(2-hydroxyethyl)-3-methylpurine-2,6-dione?
The InChIKey is GSNRUMCAPMPAMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5O3/c1-12-5-4(6(15)11-8(12)16)13(2-3-14)7(9)10-5/h14H,2-3H2,1H3,(H2,9,10)(H,11,15,16).
What are the key properties of 8-amino-7-(2-hydroxyethyl)-3-methylpurine-2,6-dione?
8-amino-7-(2-hydroxyethyl)-3-methylpurine-2,6-dione has a molecular weight of 225.21 g/mol, XLogP of -2.00, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-7-(2-hydroxyethyl)-3-methylpurine-2,6-dione is sourced from PubChem (CID 787610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).