4,7,8-trimethyl-6-(2-methylpropyl)-4a,9a-dihydropurino[7,8-a]imidazole-1,3-dione

C14H21N5O2 — CID 73257125

IUPAC4,7,8-trimethyl-6-(2-methylpropyl)-4a,9a-dihydropurino[7,8-a]imidazole-1,3-dione
SMILESCC1=C(C)N2C(=NC3C2C(=O)NC(=O)N3C)N1CC(C)C
InChIInChI=1S/C14H21N5O2/c1-7(2)6-18-8(3)9(4)19-10-11(15-13(18)19)17(5)14(21)16-12(10)20/h7,10-11H,6H2,1-5H3,(H,16,20,21)
InChIKeyDDQBTPDDIYNIGI-UHFFFAOYSA-N
MW291.36 g/mol
LogP0.76
Rot. Bonds2

About 4,7,8-trimethyl-6-(2-methylpropyl)-4a,9a-dihydropurino[7,8-a]imidazole-1,3-dione

4,7,8-trimethyl-6-(2-methylpropyl)-4a,9a-dihydropurino[7,8-a]imidazole-1,3-dione (PubChem CID 73257125) has the molecular formula C14H21N5O2 and a molecular weight of 291.36 g/mol. Its IUPAC name is 4,7,8-trimethyl-6-(2-methylpropyl)-4a,9a-dihydropurino[7,8-a]imidazole-1,3-dione.

Molecular Properties

Compound Name4,7,8-trimethyl-6-(2-methylpropyl)-4a,9a-dihydropurino[7,8-a]imidazole-1,3-dione
PubChem CID73257125
Molecular FormulaC14H21N5O2
Molecular Weight291.36 g/mol
Exact Mass291.17
IUPAC Name4,7,8-trimethyl-6-(2-methylpropyl)-4a,9a-dihydropurino[7,8-a]imidazole-1,3-dione
SMILESCC1=C(C)N2C(=NC3C2C(=O)NC(=O)N3C)N1CC(C)C
InChIInChI=1S/C14H21N5O2/c1-7(2)6-18-8(3)9(4)19-10-11(15-13(18)19)17(5)14(21)16-12(10)20/h7,10-11H,6H2,1-5H3,(H,16,20,21)
InChIKeyDDQBTPDDIYNIGI-UHFFFAOYSA-N
XLogP0.76
TPSA68.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.36
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4,7,8-trimethyl-6-(2-methylpropyl)-4a,9a-dihydropurino[7,8-a]imidazole-1,3-dione with MolForge

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Related Compounds

1-methyl-3-(2-methylpropyl)-5,7-dihydro-4H-purine-2,6-dione
CID 526707
2-(1,3-dimethyl-2,6-dioxo-4,5-dihydropurin-7-yl)-N-(2-methylbutyl)acetamide
CID 54760769
1,8-dimethyl-3-(2-methylpropyl)-5,7-dihydro-4H-purine-2,6-dione
CID 59525151
1-tert-butyl-7-methyl-4,5-dihydro-3H-purine-2,6-dione
CID 139494799
8-methyl-1,3-bis(2-methylpropyl)-5,7-dihydro-4H-purine-2,6-dione
CID 9882161
8-amino-1,3-dipropyl-5,7-dihydro-4H-purine-2,6-dione
CID 10467447
2-[8-(Dimethylamino)-3-methyl-2,6-dioxo-4,5-dihydropurin-7-yl]acetamide
CID 45053504
2-(1,3-dimethyl-2,6-dioxo-4,5-dihydropurin-7-yl)-N-[3-(methylamino)propyl]acetamide
CID 53237794
N-(3-aminopropyl)-2-(1,3-dimethyl-2,6-dioxo-4,5-dihydropurin-7-yl)acetamide
CID 53237796
4,6,7-Trimethyl-4a,9a-dihydropurino[7,8-a]imidazole-1,3-dione
CID 73165284
4,7-Dimethyl-6-(2-methylpropyl)-4a,9a-dihydropurino[7,8-a]imidazole-1,3-dione
CID 73256962
4,7,8-Trimethyl-6-(3-piperidin-1-ylpropyl)-4a,9a-dihydropurino[7,8-a]imidazole-1,3-dione
CID 73258412

Frequently Asked Questions

What is the IUPAC name of 4,7,8-trimethyl-6-(2-methylpropyl)-4a,9a-dihydropurino[7,8-a]imidazole-1,3-dione?
The IUPAC name of 4,7,8-trimethyl-6-(2-methylpropyl)-4a,9a-dihydropurino[7,8-a]imidazole-1,3-dione (CID 73257125) is 4,7,8-trimethyl-6-(2-methylpropyl)-4a,9a-dihydropurino[7,8-a]imidazole-1,3-dione.
What is the SMILES notation for 4,7,8-trimethyl-6-(2-methylpropyl)-4a,9a-dihydropurino[7,8-a]imidazole-1,3-dione?
The canonical SMILES for 4,7,8-trimethyl-6-(2-methylpropyl)-4a,9a-dihydropurino[7,8-a]imidazole-1,3-dione is CC1=C(C)N2C(=NC3C2C(=O)NC(=O)N3C)N1CC(C)C.
What is the InChIKey of 4,7,8-trimethyl-6-(2-methylpropyl)-4a,9a-dihydropurino[7,8-a]imidazole-1,3-dione?
The InChIKey is DDQBTPDDIYNIGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O2/c1-7(2)6-18-8(3)9(4)19-10-11(15-13(18)19)17(5)14(21)16-12(10)20/h7,10-11H,6H2,1-5H3,(H,16,20,21).
What are the key properties of 4,7,8-trimethyl-6-(2-methylpropyl)-4a,9a-dihydropurino[7,8-a]imidazole-1,3-dione?
4,7,8-trimethyl-6-(2-methylpropyl)-4a,9a-dihydropurino[7,8-a]imidazole-1,3-dione has a molecular weight of 291.36 g/mol, XLogP of 0.76, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7,8-trimethyl-6-(2-methylpropyl)-4a,9a-dihydropurino[7,8-a]imidazole-1,3-dione is sourced from PubChem (CID 73257125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).