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

C12H21N5O2 — CID 78303122

IUPAC7-butyl-8-(dimethylamino)-3-methyl-4,5-dihydropurine-2,6-dione
SMILESCCCCN1C(N(C)C)=NC2C1C(=O)NC(=O)N2C
InChIInChI=1S/C12H21N5O2/c1-5-6-7-17-8-9(13-11(17)15(2)3)16(4)12(19)14-10(8)18/h8-9H,5-7H2,1-4H3,(H,14,18,19)
InChIKeyGGCPDVCKCNBLCZ-UHFFFAOYSA-N
MW267.33 g/mol
LogP-0.10
Rot. Bonds3

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

7-butyl-8-(dimethylamino)-3-methyl-4,5-dihydropurine-2,6-dione (PubChem CID 78303122) has the molecular formula C12H21N5O2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 7-butyl-8-(dimethylamino)-3-methyl-4,5-dihydropurine-2,6-dione.

Molecular Properties

Compound Name7-butyl-8-(dimethylamino)-3-methyl-4,5-dihydropurine-2,6-dione
PubChem CID78303122
Molecular FormulaC12H21N5O2
Molecular Weight267.33 g/mol
Exact Mass267.17
IUPAC Name7-butyl-8-(dimethylamino)-3-methyl-4,5-dihydropurine-2,6-dione
SMILESCCCCN1C(N(C)C)=NC2C1C(=O)NC(=O)N2C
InChIInChI=1S/C12H21N5O2/c1-5-6-7-17-8-9(13-11(17)15(2)3)16(4)12(19)14-10(8)18/h8-9H,5-7H2,1-4H3,(H,14,18,19)
InChIKeyGGCPDVCKCNBLCZ-UHFFFAOYSA-N
XLogP-0.10
TPSA68.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-butyl-8-(dimethylamino)-3-methyl-4,5-dihydropurine-2,6-dione?
The IUPAC name of 7-butyl-8-(dimethylamino)-3-methyl-4,5-dihydropurine-2,6-dione (CID 78303122) is 7-butyl-8-(dimethylamino)-3-methyl-4,5-dihydropurine-2,6-dione.
What is the SMILES notation for 7-butyl-8-(dimethylamino)-3-methyl-4,5-dihydropurine-2,6-dione?
The canonical SMILES for 7-butyl-8-(dimethylamino)-3-methyl-4,5-dihydropurine-2,6-dione is CCCCN1C(N(C)C)=NC2C1C(=O)NC(=O)N2C.
What is the InChIKey of 7-butyl-8-(dimethylamino)-3-methyl-4,5-dihydropurine-2,6-dione?
The InChIKey is GGCPDVCKCNBLCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O2/c1-5-6-7-17-8-9(13-11(17)15(2)3)16(4)12(19)14-10(8)18/h8-9H,5-7H2,1-4H3,(H,14,18,19).
What are the key properties of 7-butyl-8-(dimethylamino)-3-methyl-4,5-dihydropurine-2,6-dione?
7-butyl-8-(dimethylamino)-3-methyl-4,5-dihydropurine-2,6-dione has a molecular weight of 267.33 g/mol, XLogP of -0.10, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-butyl-8-(dimethylamino)-3-methyl-4,5-dihydropurine-2,6-dione is sourced from PubChem (CID 78303122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).