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

C7H9N5O2 — CID 114402270

IUPAC8-(1-aminoethyl)-3,7-dihydropurine-2,6-dione
SMILESCC(N)c1nc2[nH]c(=O)[nH]c(=O)c2[nH]1
InChIInChI=1S/C7H9N5O2/c1-2(8)4-9-3-5(10-4)11-7(14)12-6(3)13/h2H,8H2,1H3,(H3,9,10,11,12,13,14)
InChIKeyAMPJGCXXVDHGAR-UHFFFAOYSA-N
MW195.18 g/mol
LogP-1.04
Rot. Bonds1

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

8-(1-aminoethyl)-3,7-dihydropurine-2,6-dione (PubChem CID 114402270) has the molecular formula C7H9N5O2 and a molecular weight of 195.18 g/mol. Its IUPAC name is 8-(1-aminoethyl)-3,7-dihydropurine-2,6-dione.

Molecular Properties

Compound Name8-(1-aminoethyl)-3,7-dihydropurine-2,6-dione
PubChem CID114402270
Molecular FormulaC7H9N5O2
Molecular Weight195.18 g/mol
Exact Mass195.08
IUPAC Name8-(1-aminoethyl)-3,7-dihydropurine-2,6-dione
SMILESCC(N)c1nc2[nH]c(=O)[nH]c(=O)c2[nH]1
InChIInChI=1S/C7H9N5O2/c1-2(8)4-9-3-5(10-4)11-7(14)12-6(3)13/h2H,8H2,1H3,(H3,9,10,11,12,13,14)
InChIKeyAMPJGCXXVDHGAR-UHFFFAOYSA-N
XLogP-1.04
TPSA120.42 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.18
LogP ≤ 5-1.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

8-[(1S)-1-hydroxyethyl]-3,7-dihydropurine-2,6-dione
CID 104921170
8-(1-aminopentyl)-3,7-dihydropurine-2,6-dione
CID 114402395
8-(3-amino-1-hydroxypropyl)-3,7-dihydropurine-2,6-dione
CID 107835469
ethyl 2-(2,6-dioxo-3,7-dihydropurin-8-yl)butanoate
CID 114401850
methyl 2-cyclopentyl-2-(2,6-dioxo-3,7-dihydropurin-8-yl)acetate
CID 114401865
8-[hydroxy(phenyl)methyl]-3,7-dihydropurine-2,6-dione
CID 114402810
8-(propan-2-yloxymethyl)-3,7-dihydropurine-2,6-dione
CID 114403027
8-(piperidin-1-ylamino)-3,7-dihydropurine-2,6-dione
CID 67902561
8-(hydroxymethyl)-3,7-dihydropurine-2,6-dione
CID 115647659
N-[4-[1-(2,6-dioxo-3,7-dihydropurin-8-yl)-2-methylbutyl]phenyl]acetamide
CID 91222350
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-(1-aminoethyl)-3,7-dihydropurine-2,6-dione?
The IUPAC name of 8-(1-aminoethyl)-3,7-dihydropurine-2,6-dione (CID 114402270) is 8-(1-aminoethyl)-3,7-dihydropurine-2,6-dione.
What is the SMILES notation for 8-(1-aminoethyl)-3,7-dihydropurine-2,6-dione?
The canonical SMILES for 8-(1-aminoethyl)-3,7-dihydropurine-2,6-dione is CC(N)c1nc2[nH]c(=O)[nH]c(=O)c2[nH]1.
What is the InChIKey of 8-(1-aminoethyl)-3,7-dihydropurine-2,6-dione?
The InChIKey is AMPJGCXXVDHGAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N5O2/c1-2(8)4-9-3-5(10-4)11-7(14)12-6(3)13/h2H,8H2,1H3,(H3,9,10,11,12,13,14).
What are the key properties of 8-(1-aminoethyl)-3,7-dihydropurine-2,6-dione?
8-(1-aminoethyl)-3,7-dihydropurine-2,6-dione has a molecular weight of 195.18 g/mol, XLogP of -1.04, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1-aminoethyl)-3,7-dihydropurine-2,6-dione is sourced from PubChem (CID 114402270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).