6-(dibutylamino)-3,7-dihydropurin-2-one

C13H21N5O — CID 3631920

IUPAC6-(dibutylamino)-3,7-dihydropurin-2-one
SMILESCCCCN(CCCC)c1nc(=O)[nH]c2nc[nH]c12
InChIInChI=1S/C13H21N5O/c1-3-5-7-18(8-6-4-2)12-10-11(15-9-14-10)16-13(19)17-12/h9H,3-8H2,1-2H3,(H2,14,15,16,17,19)
InChIKeyXVOZQTYYESVLKF-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.05
Rot. Bonds7

About 6-(dibutylamino)-3,7-dihydropurin-2-one

6-(dibutylamino)-3,7-dihydropurin-2-one (PubChem CID 3631920) has the molecular formula C13H21N5O and a molecular weight of 263.34 g/mol. Its IUPAC name is 6-(dibutylamino)-3,7-dihydropurin-2-one.

Molecular Properties

Compound Name6-(dibutylamino)-3,7-dihydropurin-2-one
PubChem CID3631920
Molecular FormulaC13H21N5O
Molecular Weight263.34 g/mol
Exact Mass263.17
IUPAC Name6-(dibutylamino)-3,7-dihydropurin-2-one
SMILESCCCCN(CCCC)c1nc(=O)[nH]c2nc[nH]c12
InChIInChI=1S/C13H21N5O/c1-3-5-7-18(8-6-4-2)12-10-11(15-9-14-10)16-13(19)17-12/h9H,3-8H2,1-2H3,(H2,14,15,16,17,19)
InChIKeyXVOZQTYYESVLKF-UHFFFAOYSA-N
XLogP2.05
TPSA77.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-(dibutylamino)-3,7-dihydropurin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(dibutylamino)-3,7-dihydropurin-2-one?
The IUPAC name of 6-(dibutylamino)-3,7-dihydropurin-2-one (CID 3631920) is 6-(dibutylamino)-3,7-dihydropurin-2-one.
What is the SMILES notation for 6-(dibutylamino)-3,7-dihydropurin-2-one?
The canonical SMILES for 6-(dibutylamino)-3,7-dihydropurin-2-one is CCCCN(CCCC)c1nc(=O)[nH]c2nc[nH]c12.
What is the InChIKey of 6-(dibutylamino)-3,7-dihydropurin-2-one?
The InChIKey is XVOZQTYYESVLKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O/c1-3-5-7-18(8-6-4-2)12-10-11(15-9-14-10)16-13(19)17-12/h9H,3-8H2,1-2H3,(H2,14,15,16,17,19).
What are the key properties of 6-(dibutylamino)-3,7-dihydropurin-2-one?
6-(dibutylamino)-3,7-dihydropurin-2-one has a molecular weight of 263.34 g/mol, XLogP of 2.05, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(dibutylamino)-3,7-dihydropurin-2-one is sourced from PubChem (CID 3631920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).