8-[(1S)-1-hydroxyethyl]-3,7-dihydropurine-2,6-dione

C7H8N4O3 — CID 104921170

IUPAC8-[(1S)-1-hydroxyethyl]-3,7-dihydropurine-2,6-dione
SMILESC[C@H](O)c1nc2[nH]c(=O)[nH]c(=O)c2[nH]1
InChIInChI=1S/C7H8N4O3/c1-2(12)4-8-3-5(9-4)10-7(14)11-6(3)13/h2,12H,1H3,(H3,8,9,10,11,13,14)/t2-/m0/s1
InChIKeyBRFRCYUEPRASOC-REOHCLBHSA-N
MW196.17 g/mol
LogP-1.01
Rot. Bonds1

About 8-[(1S)-1-hydroxyethyl]-3,7-dihydropurine-2,6-dione

8-[(1S)-1-hydroxyethyl]-3,7-dihydropurine-2,6-dione (PubChem CID 104921170) has the molecular formula C7H8N4O3 and a molecular weight of 196.17 g/mol. Its IUPAC name is 8-[(1S)-1-hydroxyethyl]-3,7-dihydropurine-2,6-dione.

Molecular Properties

Compound Name8-[(1S)-1-hydroxyethyl]-3,7-dihydropurine-2,6-dione
PubChem CID104921170
Molecular FormulaC7H8N4O3
Molecular Weight196.17 g/mol
Exact Mass196.06
IUPAC Name8-[(1S)-1-hydroxyethyl]-3,7-dihydropurine-2,6-dione
SMILESC[C@H](O)c1nc2[nH]c(=O)[nH]c(=O)c2[nH]1
InChIInChI=1S/C7H8N4O3/c1-2(12)4-8-3-5(9-4)10-7(14)11-6(3)13/h2,12H,1H3,(H3,8,9,10,11,13,14)/t2-/m0/s1
InChIKeyBRFRCYUEPRASOC-REOHCLBHSA-N
XLogP-1.01
TPSA114.63 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.17
LogP ≤ 5-1.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

8-(1-aminoethyl)-3,7-dihydropurine-2,6-dione
CID 114402270
8-(3-amino-1-hydroxypropyl)-3,7-dihydropurine-2,6-dione
CID 107835469
8-[hydroxy(phenyl)methyl]-3,7-dihydropurine-2,6-dione
CID 114402810
8-(hydroxymethyl)-3,7-dihydropurine-2,6-dione
CID 115647659
ethyl 2-(2,6-dioxo-3,7-dihydropurin-8-yl)butanoate
CID 114401850
8-(1-aminopentyl)-3,7-dihydropurine-2,6-dione
CID 114402395
methyl 2-cyclopentyl-2-(2,6-dioxo-3,7-dihydropurin-8-yl)acetate
CID 114401865
N-[4-[1-(2,6-dioxo-3,7-dihydropurin-8-yl)-2-methylbutyl]phenyl]acetamide
CID 91222350
8-(propan-2-yloxymethyl)-3,7-dihydropurine-2,6-dione
CID 114403027
2,4,6-trioxo-1,5-dihydropteridine-7-carboxylic acid
CID 23422188
8-propyl-3,7-dihydropurine-2,6-dione;hydrochloride
CID 162308882
2,6-dioxo-3,7-dihydropurine-8-carbonitrile
CID 152645473

Frequently Asked Questions

What is the IUPAC name of 8-[(1S)-1-hydroxyethyl]-3,7-dihydropurine-2,6-dione?
The IUPAC name of 8-[(1S)-1-hydroxyethyl]-3,7-dihydropurine-2,6-dione (CID 104921170) is 8-[(1S)-1-hydroxyethyl]-3,7-dihydropurine-2,6-dione.
What is the SMILES notation for 8-[(1S)-1-hydroxyethyl]-3,7-dihydropurine-2,6-dione?
The canonical SMILES for 8-[(1S)-1-hydroxyethyl]-3,7-dihydropurine-2,6-dione is C[C@H](O)c1nc2[nH]c(=O)[nH]c(=O)c2[nH]1.
What is the InChIKey of 8-[(1S)-1-hydroxyethyl]-3,7-dihydropurine-2,6-dione?
The InChIKey is BRFRCYUEPRASOC-REOHCLBHSA-N. The full InChI is InChI=1S/C7H8N4O3/c1-2(12)4-8-3-5(9-4)10-7(14)11-6(3)13/h2,12H,1H3,(H3,8,9,10,11,13,14)/t2-/m0/s1.
What are the key properties of 8-[(1S)-1-hydroxyethyl]-3,7-dihydropurine-2,6-dione?
8-[(1S)-1-hydroxyethyl]-3,7-dihydropurine-2,6-dione has a molecular weight of 196.17 g/mol, XLogP of -1.01, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(1S)-1-hydroxyethyl]-3,7-dihydropurine-2,6-dione is sourced from PubChem (CID 104921170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).