8-(3-amino-1-hydroxypropyl)-3,7-dihydropurine-2,6-dione

C8H11N5O3 — CID 107835469

IUPAC8-(3-amino-1-hydroxypropyl)-3,7-dihydropurine-2,6-dione
SMILESNCCC(O)c1nc2[nH]c(=O)[nH]c(=O)c2[nH]1
InChIInChI=1S/C8H11N5O3/c9-2-1-3(14)5-10-4-6(11-5)12-8(16)13-7(4)15/h3,14H,1-2,9H2,(H3,10,11,12,13,15,16)
InChIKeyUICIAQIWCFLVKC-UHFFFAOYSA-N
MW225.21 g/mol
LogP-1.68
Rot. Bonds3

About 8-(3-amino-1-hydroxypropyl)-3,7-dihydropurine-2,6-dione

8-(3-amino-1-hydroxypropyl)-3,7-dihydropurine-2,6-dione (PubChem CID 107835469) has the molecular formula C8H11N5O3 and a molecular weight of 225.21 g/mol. Its IUPAC name is 8-(3-amino-1-hydroxypropyl)-3,7-dihydropurine-2,6-dione.

Molecular Properties

Compound Name8-(3-amino-1-hydroxypropyl)-3,7-dihydropurine-2,6-dione
PubChem CID107835469
Molecular FormulaC8H11N5O3
Molecular Weight225.21 g/mol
Exact Mass225.09
IUPAC Name8-(3-amino-1-hydroxypropyl)-3,7-dihydropurine-2,6-dione
SMILESNCCC(O)c1nc2[nH]c(=O)[nH]c(=O)c2[nH]1
InChIInChI=1S/C8H11N5O3/c9-2-1-3(14)5-10-4-6(11-5)12-8(16)13-7(4)15/h3,14H,1-2,9H2,(H3,10,11,12,13,15,16)
InChIKeyUICIAQIWCFLVKC-UHFFFAOYSA-N
XLogP-1.68
TPSA140.65 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.21
LogP ≤ 5-1.68
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

8-[(1S)-1-hydroxyethyl]-3,7-dihydropurine-2,6-dione
CID 104921170
8-(1-aminoethyl)-3,7-dihydropurine-2,6-dione
CID 114402270
8-(1-aminopentyl)-3,7-dihydropurine-2,6-dione
CID 114402395
8-[3-(2-aminoethyl)-4,4-dimethylpentyl]-3,7-dihydropurine-2,6-dione
CID 114402156
ethyl 2-(2,6-dioxo-3,7-dihydropurin-8-yl)butanoate
CID 114401850
8-[hydroxy(phenyl)methyl]-3,7-dihydropurine-2,6-dione
CID 114402810
8-(hydroxymethyl)-3,7-dihydropurine-2,6-dione
CID 115647659
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
(1S)-3-amino-1-(3-amino-1H-1,2,4-triazol-5-yl)propan-1-ol
CID 107841721
8-(3-amino-2-methoxypropyl)-3,7-dihydropurine-2,6-dione
CID 103154029
2,4,6-trioxo-1,5-dihydropteridine-7-carboxylic acid
CID 23422188

Frequently Asked Questions

What is the IUPAC name of 8-(3-amino-1-hydroxypropyl)-3,7-dihydropurine-2,6-dione?
The IUPAC name of 8-(3-amino-1-hydroxypropyl)-3,7-dihydropurine-2,6-dione (CID 107835469) is 8-(3-amino-1-hydroxypropyl)-3,7-dihydropurine-2,6-dione.
What is the SMILES notation for 8-(3-amino-1-hydroxypropyl)-3,7-dihydropurine-2,6-dione?
The canonical SMILES for 8-(3-amino-1-hydroxypropyl)-3,7-dihydropurine-2,6-dione is NCCC(O)c1nc2[nH]c(=O)[nH]c(=O)c2[nH]1.
What is the InChIKey of 8-(3-amino-1-hydroxypropyl)-3,7-dihydropurine-2,6-dione?
The InChIKey is UICIAQIWCFLVKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5O3/c9-2-1-3(14)5-10-4-6(11-5)12-8(16)13-7(4)15/h3,14H,1-2,9H2,(H3,10,11,12,13,15,16).
What are the key properties of 8-(3-amino-1-hydroxypropyl)-3,7-dihydropurine-2,6-dione?
8-(3-amino-1-hydroxypropyl)-3,7-dihydropurine-2,6-dione has a molecular weight of 225.21 g/mol, XLogP of -1.68, 3 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-amino-1-hydroxypropyl)-3,7-dihydropurine-2,6-dione is sourced from PubChem (CID 107835469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).