1-methyl-3-(2-methylpropyl)-5,7-dihydro-4H-purine-2,6-dione

C10H16N4O2 — CID 526707

IUPAC1-methyl-3-(2-methylpropyl)-5,7-dihydro-4H-purine-2,6-dione
SMILESCC(C)CN1C(=O)N(C)C(=O)C2NC=NC21
InChIInChI=1S/C10H16N4O2/c1-6(2)4-14-8-7(11-5-12-8)9(15)13(3)10(14)16/h5-8H,4H2,1-3H3,(H,11,12)
InChIKeyIAPHEWNBGVEBEH-UHFFFAOYSA-N
MW224.26 g/mol
LogP-0.14
Rot. Bonds2

About 1-methyl-3-(2-methylpropyl)-5,7-dihydro-4H-purine-2,6-dione

1-methyl-3-(2-methylpropyl)-5,7-dihydro-4H-purine-2,6-dione (PubChem CID 526707) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is 1-methyl-3-(2-methylpropyl)-5,7-dihydro-4H-purine-2,6-dione.

Molecular Properties

Compound Name1-methyl-3-(2-methylpropyl)-5,7-dihydro-4H-purine-2,6-dione
PubChem CID526707
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC Name1-methyl-3-(2-methylpropyl)-5,7-dihydro-4H-purine-2,6-dione
SMILESCC(C)CN1C(=O)N(C)C(=O)C2NC=NC21
InChIInChI=1S/C10H16N4O2/c1-6(2)4-14-8-7(11-5-12-8)9(15)13(3)10(14)16/h5-8H,4H2,1-3H3,(H,11,12)
InChIKeyIAPHEWNBGVEBEH-UHFFFAOYSA-N
XLogP-0.14
TPSA65.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 5-0.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(2-methylpropyl)-5,7-dihydro-4H-purine-2,6-dione?
The IUPAC name of 1-methyl-3-(2-methylpropyl)-5,7-dihydro-4H-purine-2,6-dione (CID 526707) is 1-methyl-3-(2-methylpropyl)-5,7-dihydro-4H-purine-2,6-dione.
What is the SMILES notation for 1-methyl-3-(2-methylpropyl)-5,7-dihydro-4H-purine-2,6-dione?
The canonical SMILES for 1-methyl-3-(2-methylpropyl)-5,7-dihydro-4H-purine-2,6-dione is CC(C)CN1C(=O)N(C)C(=O)C2NC=NC21.
What is the InChIKey of 1-methyl-3-(2-methylpropyl)-5,7-dihydro-4H-purine-2,6-dione?
The InChIKey is IAPHEWNBGVEBEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2/c1-6(2)4-14-8-7(11-5-12-8)9(15)13(3)10(14)16/h5-8H,4H2,1-3H3,(H,11,12).
What are the key properties of 1-methyl-3-(2-methylpropyl)-5,7-dihydro-4H-purine-2,6-dione?
1-methyl-3-(2-methylpropyl)-5,7-dihydro-4H-purine-2,6-dione has a molecular weight of 224.26 g/mol, XLogP of -0.14, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(2-methylpropyl)-5,7-dihydro-4H-purine-2,6-dione is sourced from PubChem (CID 526707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).