8-(dimethylamino)-3-methyl-7-(3-methylbutyl)-4,5-dihydropurine-2,6-dione

C13H23N5O2 — CID 78206161

IUPAC8-(dimethylamino)-3-methyl-7-(3-methylbutyl)-4,5-dihydropurine-2,6-dione
SMILESCC(C)CCN1C(N(C)C)=NC2C1C(=O)NC(=O)N2C
InChIInChI=1S/C13H23N5O2/c1-8(2)6-7-18-9-10(14-12(18)16(3)4)17(5)13(20)15-11(9)19/h8-10H,6-7H2,1-5H3,(H,15,19,20)
InChIKeyWLALMMFFJCHHGL-UHFFFAOYSA-N
MW281.36 g/mol
LogP0.14
Rot. Bonds3

About 8-(dimethylamino)-3-methyl-7-(3-methylbutyl)-4,5-dihydropurine-2,6-dione

8-(dimethylamino)-3-methyl-7-(3-methylbutyl)-4,5-dihydropurine-2,6-dione (PubChem CID 78206161) has the molecular formula C13H23N5O2 and a molecular weight of 281.36 g/mol. Its IUPAC name is 8-(dimethylamino)-3-methyl-7-(3-methylbutyl)-4,5-dihydropurine-2,6-dione.

Molecular Properties

Compound Name8-(dimethylamino)-3-methyl-7-(3-methylbutyl)-4,5-dihydropurine-2,6-dione
PubChem CID78206161
Molecular FormulaC13H23N5O2
Molecular Weight281.36 g/mol
Exact Mass281.19
IUPAC Name8-(dimethylamino)-3-methyl-7-(3-methylbutyl)-4,5-dihydropurine-2,6-dione
SMILESCC(C)CCN1C(N(C)C)=NC2C1C(=O)NC(=O)N2C
InChIInChI=1S/C13H23N5O2/c1-8(2)6-7-18-9-10(14-12(18)16(3)4)17(5)13(20)15-11(9)19/h8-10H,6-7H2,1-5H3,(H,15,19,20)
InChIKeyWLALMMFFJCHHGL-UHFFFAOYSA-N
XLogP0.14
TPSA68.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-(dimethylamino)-3-methyl-7-(3-methylbutyl)-4,5-dihydropurine-2,6-dione?
The IUPAC name of 8-(dimethylamino)-3-methyl-7-(3-methylbutyl)-4,5-dihydropurine-2,6-dione (CID 78206161) is 8-(dimethylamino)-3-methyl-7-(3-methylbutyl)-4,5-dihydropurine-2,6-dione.
What is the SMILES notation for 8-(dimethylamino)-3-methyl-7-(3-methylbutyl)-4,5-dihydropurine-2,6-dione?
The canonical SMILES for 8-(dimethylamino)-3-methyl-7-(3-methylbutyl)-4,5-dihydropurine-2,6-dione is CC(C)CCN1C(N(C)C)=NC2C1C(=O)NC(=O)N2C.
What is the InChIKey of 8-(dimethylamino)-3-methyl-7-(3-methylbutyl)-4,5-dihydropurine-2,6-dione?
The InChIKey is WLALMMFFJCHHGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O2/c1-8(2)6-7-18-9-10(14-12(18)16(3)4)17(5)13(20)15-11(9)19/h8-10H,6-7H2,1-5H3,(H,15,19,20).
What are the key properties of 8-(dimethylamino)-3-methyl-7-(3-methylbutyl)-4,5-dihydropurine-2,6-dione?
8-(dimethylamino)-3-methyl-7-(3-methylbutyl)-4,5-dihydropurine-2,6-dione has a molecular weight of 281.36 g/mol, XLogP of 0.14, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(dimethylamino)-3-methyl-7-(3-methylbutyl)-4,5-dihydropurine-2,6-dione is sourced from PubChem (CID 78206161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).