1,3,7-trimethyl-8-propan-2-yl-4,5-dihydropurine-2,6-dione

C11H18N4O2 — CID 153137216

IUPAC1,3,7-trimethyl-8-propan-2-yl-4,5-dihydropurine-2,6-dione
SMILESCC(C)C1=NC2C(C(=O)N(C)C(=O)N2C)N1C
InChIInChI=1S/C11H18N4O2/c1-6(2)8-12-9-7(13(8)3)10(16)15(5)11(17)14(9)4/h6-7,9H,1-5H3
InChIKeyVXXJLHJMKPTPFA-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.20
Rot. Bonds1

About 1,3,7-trimethyl-8-propan-2-yl-4,5-dihydropurine-2,6-dione

1,3,7-trimethyl-8-propan-2-yl-4,5-dihydropurine-2,6-dione (PubChem CID 153137216) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 1,3,7-trimethyl-8-propan-2-yl-4,5-dihydropurine-2,6-dione.

Molecular Properties

Compound Name1,3,7-trimethyl-8-propan-2-yl-4,5-dihydropurine-2,6-dione
PubChem CID153137216
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name1,3,7-trimethyl-8-propan-2-yl-4,5-dihydropurine-2,6-dione
SMILESCC(C)C1=NC2C(C(=O)N(C)C(=O)N2C)N1C
InChIInChI=1S/C11H18N4O2/c1-6(2)8-12-9-7(13(8)3)10(16)15(5)11(17)14(9)4/h6-7,9H,1-5H3
InChIKeyVXXJLHJMKPTPFA-UHFFFAOYSA-N
XLogP0.20
TPSA56.22 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,3,7-trimethyl-8-propan-2-yl-4,5-dihydropurine-2,6-dione?
The IUPAC name of 1,3,7-trimethyl-8-propan-2-yl-4,5-dihydropurine-2,6-dione (CID 153137216) is 1,3,7-trimethyl-8-propan-2-yl-4,5-dihydropurine-2,6-dione.
What is the SMILES notation for 1,3,7-trimethyl-8-propan-2-yl-4,5-dihydropurine-2,6-dione?
The canonical SMILES for 1,3,7-trimethyl-8-propan-2-yl-4,5-dihydropurine-2,6-dione is CC(C)C1=NC2C(C(=O)N(C)C(=O)N2C)N1C.
What is the InChIKey of 1,3,7-trimethyl-8-propan-2-yl-4,5-dihydropurine-2,6-dione?
The InChIKey is VXXJLHJMKPTPFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-6(2)8-12-9-7(13(8)3)10(16)15(5)11(17)14(9)4/h6-7,9H,1-5H3.
What are the key properties of 1,3,7-trimethyl-8-propan-2-yl-4,5-dihydropurine-2,6-dione?
1,3,7-trimethyl-8-propan-2-yl-4,5-dihydropurine-2,6-dione has a molecular weight of 238.29 g/mol, XLogP of 0.20, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,7-trimethyl-8-propan-2-yl-4,5-dihydropurine-2,6-dione is sourced from PubChem (CID 153137216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).