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

C9H13N5O3 — CID 103154029

IUPAC8-(3-amino-2-methoxypropyl)-3,7-dihydropurine-2,6-dione
SMILESCOC(CN)Cc1nc2[nH]c(=O)[nH]c(=O)c2[nH]1
InChIInChI=1S/C9H13N5O3/c1-17-4(3-10)2-5-11-6-7(12-5)13-9(16)14-8(6)15/h4H,2-3,10H2,1H3,(H3,11,12,13,14,15,16)
InChIKeyGDGUIAZDVGZDQL-UHFFFAOYSA-N
MW239.23 g/mol
LogP-1.54
Rot. Bonds4

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

8-(3-amino-2-methoxypropyl)-3,7-dihydropurine-2,6-dione (PubChem CID 103154029) has the molecular formula C9H13N5O3 and a molecular weight of 239.23 g/mol. Its IUPAC name is 8-(3-amino-2-methoxypropyl)-3,7-dihydropurine-2,6-dione.

Molecular Properties

Compound Name8-(3-amino-2-methoxypropyl)-3,7-dihydropurine-2,6-dione
PubChem CID103154029
Molecular FormulaC9H13N5O3
Molecular Weight239.23 g/mol
Exact Mass239.10
IUPAC Name8-(3-amino-2-methoxypropyl)-3,7-dihydropurine-2,6-dione
SMILESCOC(CN)Cc1nc2[nH]c(=O)[nH]c(=O)c2[nH]1
InChIInChI=1S/C9H13N5O3/c1-17-4(3-10)2-5-11-6-7(12-5)13-9(16)14-8(6)15/h4H,2-3,10H2,1H3,(H3,11,12,13,14,15,16)
InChIKeyGDGUIAZDVGZDQL-UHFFFAOYSA-N
XLogP-1.54
TPSA129.65 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 5-1.54
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

8-(propan-2-yloxymethyl)-3,7-dihydropurine-2,6-dione
CID 114403027
8-(hydroxymethyl)-3,7-dihydropurine-2,6-dione
CID 115647659
8-propyl-3,7-dihydropurine-2,6-dione;hydrochloride
CID 162308882
8-[3-(2-aminoethyl)-4,4-dimethylpentyl]-3,7-dihydropurine-2,6-dione
CID 114402156
8-benzyl-3,7-dihydropurine-2,6-dione
CID 18435695
8-(3-chloropropyl)-3,7-dihydropurine-2,6-dione
CID 114402437
8-(1-aminoethyl)-3,7-dihydropurine-2,6-dione
CID 114402270
2-[(2,6-dioxo-3,7-dihydropurin-8-yl)methylsulfanyl]acetic acid
CID 114401858
8-(phenoxymethyl)-3,7-dihydropurine-2,6-dione
CID 114402809
8-(7-hydroxyheptyl)-3,7-dihydropurine-2,6-dione
CID 54052598
8-(3-amino-3-phenylpropyl)-3,7-dihydropurine-2,6-dione
CID 114402191
3-(5,6-difluoro-1H-benzimidazol-2-yl)-2-methoxypropan-1-amine
CID 103153947

Frequently Asked Questions

What is the IUPAC name of 8-(3-amino-2-methoxypropyl)-3,7-dihydropurine-2,6-dione?
The IUPAC name of 8-(3-amino-2-methoxypropyl)-3,7-dihydropurine-2,6-dione (CID 103154029) is 8-(3-amino-2-methoxypropyl)-3,7-dihydropurine-2,6-dione.
What is the SMILES notation for 8-(3-amino-2-methoxypropyl)-3,7-dihydropurine-2,6-dione?
The canonical SMILES for 8-(3-amino-2-methoxypropyl)-3,7-dihydropurine-2,6-dione is COC(CN)Cc1nc2[nH]c(=O)[nH]c(=O)c2[nH]1.
What is the InChIKey of 8-(3-amino-2-methoxypropyl)-3,7-dihydropurine-2,6-dione?
The InChIKey is GDGUIAZDVGZDQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O3/c1-17-4(3-10)2-5-11-6-7(12-5)13-9(16)14-8(6)15/h4H,2-3,10H2,1H3,(H3,11,12,13,14,15,16).
What are the key properties of 8-(3-amino-2-methoxypropyl)-3,7-dihydropurine-2,6-dione?
8-(3-amino-2-methoxypropyl)-3,7-dihydropurine-2,6-dione has a molecular weight of 239.23 g/mol, XLogP of -1.54, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-amino-2-methoxypropyl)-3,7-dihydropurine-2,6-dione is sourced from PubChem (CID 103154029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).