3,9-bis(cyclobutylmethyl)purine-2,6-dione

C15H20N4O2 — CID 173317132

IUPAC3,9-bis(cyclobutylmethyl)purine-2,6-dione
SMILESO=c1[nH]c(=O)n(CC2CCC2)c2c1ncn2CC1CCC1
InChIInChI=1S/C15H20N4O2/c20-13-12-14(18(9-16-12)7-10-3-1-4-10)19(15(21)17-13)8-11-5-2-6-11/h9-11H,1-8H2,(H,17,20,21)
InChIKeyDUQCUGUEWMUZRZ-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.49
Rot. Bonds4

About 3,9-bis(cyclobutylmethyl)purine-2,6-dione

3,9-bis(cyclobutylmethyl)purine-2,6-dione (PubChem CID 173317132) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 3,9-bis(cyclobutylmethyl)purine-2,6-dione.

Molecular Properties

Compound Name3,9-bis(cyclobutylmethyl)purine-2,6-dione
PubChem CID173317132
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name3,9-bis(cyclobutylmethyl)purine-2,6-dione
SMILESO=c1[nH]c(=O)n(CC2CCC2)c2c1ncn2CC1CCC1
InChIInChI=1S/C15H20N4O2/c20-13-12-14(18(9-16-12)7-10-3-1-4-10)19(15(21)17-13)8-11-5-2-6-11/h9-11H,1-8H2,(H,17,20,21)
InChIKeyDUQCUGUEWMUZRZ-UHFFFAOYSA-N
XLogP1.49
TPSA72.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(cyclopentylmethyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione
CID 112599268
1-(cyclopentylmethyl)-6-hydroxy-5-phenylpyrimidine-2,4-dione
CID 115946756
3-butyl-7-(piperidin-4-ylmethyl)purine-2,6-dione
CID 82465638
5-amino-6-chloro-3-(cyclohexylmethyl)pyrimidin-4-one
CID 114582793
7-(cyclopropylmethyl)-1-[(4-hydroxy-4-methylcyclohexyl)methyl]-3H-purine-2,6-dione
CID 121279400
1-(cyclobutylmethyl)-6-(3,5-dimethylphenoxy)-5-propan-2-ylpyrimidine-2,4-dione
CID 15957703
2-amino-9-[[3-(hydroxymethyl)cyclopentyl]methyl]-1H-purin-6-one
CID 135426586
3-(oxolan-2-ylmethyl)-9-[6-oxo-3-(oxolan-2-ylmethyl)-2-sulfanylidenepurin-9-yl]-2-sulfanylidenepurin-6-one
CID 91191868
1-(cyclohexylmethyl)chromeno[3,4-d]imidazol-4-one
CID 22434306
2-amino-9-[[(2S)-2-(hydroxymethyl)cyclohexyl]methyl]-1H-purin-6-one
CID 135625260
3-ethyl-7-(2-piperidin-2-ylethyl)purine-2,6-dione
CID 82465600
3-(cyclobutylmethyl)thieno[3,2-d]pyrimidin-4-one
CID 115659168

Frequently Asked Questions

What is the IUPAC name of 3,9-bis(cyclobutylmethyl)purine-2,6-dione?
The IUPAC name of 3,9-bis(cyclobutylmethyl)purine-2,6-dione (CID 173317132) is 3,9-bis(cyclobutylmethyl)purine-2,6-dione.
What is the SMILES notation for 3,9-bis(cyclobutylmethyl)purine-2,6-dione?
The canonical SMILES for 3,9-bis(cyclobutylmethyl)purine-2,6-dione is O=c1[nH]c(=O)n(CC2CCC2)c2c1ncn2CC1CCC1.
What is the InChIKey of 3,9-bis(cyclobutylmethyl)purine-2,6-dione?
The InChIKey is DUQCUGUEWMUZRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c20-13-12-14(18(9-16-12)7-10-3-1-4-10)19(15(21)17-13)8-11-5-2-6-11/h9-11H,1-8H2,(H,17,20,21).
What are the key properties of 3,9-bis(cyclobutylmethyl)purine-2,6-dione?
3,9-bis(cyclobutylmethyl)purine-2,6-dione has a molecular weight of 288.35 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,9-bis(cyclobutylmethyl)purine-2,6-dione is sourced from PubChem (CID 173317132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).