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

C17H25N5O2 — CID 16811953

IUPAC4,7,8-trimethyl-6-(2-methylpropyl)-2-propylpurino[7,8-a]imidazole-1,3-dione
SMILESCCCn1c(=O)c2c(nc3n(CC(C)C)c(C)c(C)n23)n(C)c1=O
InChIInChI=1S/C17H25N5O2/c1-7-8-20-15(23)13-14(19(6)17(20)24)18-16-21(9-10(2)3)11(4)12(5)22(13)16/h10H,7-9H2,1-6H3
InChIKeyWISWHJAGUHXPIZ-UHFFFAOYSA-N
MW331.42 g/mol
LogP1.83
Rot. Bonds4

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

4,7,8-trimethyl-6-(2-methylpropyl)-2-propylpurino[7,8-a]imidazole-1,3-dione (PubChem CID 16811953) has the molecular formula C17H25N5O2 and a molecular weight of 331.42 g/mol. Its IUPAC name is 4,7,8-trimethyl-6-(2-methylpropyl)-2-propylpurino[7,8-a]imidazole-1,3-dione.

Molecular Properties

Compound Name4,7,8-trimethyl-6-(2-methylpropyl)-2-propylpurino[7,8-a]imidazole-1,3-dione
PubChem CID16811953
Molecular FormulaC17H25N5O2
Molecular Weight331.42 g/mol
Exact Mass331.20
IUPAC Name4,7,8-trimethyl-6-(2-methylpropyl)-2-propylpurino[7,8-a]imidazole-1,3-dione
SMILESCCCn1c(=O)c2c(nc3n(CC(C)C)c(C)c(C)n23)n(C)c1=O
InChIInChI=1S/C17H25N5O2/c1-7-8-20-15(23)13-14(19(6)17(20)24)18-16-21(9-10(2)3)11(4)12(5)22(13)16/h10H,7-9H2,1-6H3
InChIKeyWISWHJAGUHXPIZ-UHFFFAOYSA-N
XLogP1.83
TPSA66.23 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

6-butyl-4,7,8-trimethyl-2-propylpurino[7,8-a]imidazole-1,3-dione
CID 7520700
4,7,8-trimethyl-2,6-bis(3-methylbutyl)purino[7,8-a]imidazole-1,3-dione
CID 7214203
2-[(4-fluorophenyl)methyl]-4,7,8-trimethyl-6-(2-methylpropyl)purino[7,8-a]imidazole-1,3-dione
CID 16626136
ethyl 3-(4,7,8-trimethyl-1,3-dioxo-6-propylpurino[7,8-a]imidazol-2-yl)propanoate
CID 3163141
4,7,8-trimethyl-6-(2-methylpropyl)-2-[(E)-3-phenylprop-2-enyl]purino[7,8-a]imidazole-1,3-dione
CID 16626487
2-benzyl-4,7,8-trimethyl-6-propylpurino[7,8-a]imidazole-1,3-dione
CID 6492681
4,7,8-trimethyl-6-(1-phenylethyl)-2-propylpurino[7,8-a]imidazole-1,3-dione
CID 16614361
4,7,8-trimethyl-6-(4-methylphenyl)-2-(2-methylpropyl)purino[7,8-a]imidazole-1,3-dione
CID 16623711
4,7,8-trimethyl-2,6-bis(prop-2-enyl)purino[7,8-a]imidazole-1,3-dione
CID 3163114
6-(2,5-dimethylphenyl)-4,7,8-trimethyl-2-(2-methylpropyl)purino[7,8-a]imidazole-1,3-dione
CID 7214046
6-(2-hydroxyethyl)-2,4,7,8-tetramethylpurino[7,8-a]imidazole-1,3-dione
CID 4912465
6-ethyl-4,7,8-trimethyl-2-(2-methylprop-2-enyl)purino[7,8-a]imidazole-1,3-dione
CID 3163147

Frequently Asked Questions

What is the IUPAC name of 4,7,8-trimethyl-6-(2-methylpropyl)-2-propylpurino[7,8-a]imidazole-1,3-dione?
The IUPAC name of 4,7,8-trimethyl-6-(2-methylpropyl)-2-propylpurino[7,8-a]imidazole-1,3-dione (CID 16811953) is 4,7,8-trimethyl-6-(2-methylpropyl)-2-propylpurino[7,8-a]imidazole-1,3-dione.
What is the SMILES notation for 4,7,8-trimethyl-6-(2-methylpropyl)-2-propylpurino[7,8-a]imidazole-1,3-dione?
The canonical SMILES for 4,7,8-trimethyl-6-(2-methylpropyl)-2-propylpurino[7,8-a]imidazole-1,3-dione is CCCn1c(=O)c2c(nc3n(CC(C)C)c(C)c(C)n23)n(C)c1=O.
What is the InChIKey of 4,7,8-trimethyl-6-(2-methylpropyl)-2-propylpurino[7,8-a]imidazole-1,3-dione?
The InChIKey is WISWHJAGUHXPIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O2/c1-7-8-20-15(23)13-14(19(6)17(20)24)18-16-21(9-10(2)3)11(4)12(5)22(13)16/h10H,7-9H2,1-6H3.
What are the key properties of 4,7,8-trimethyl-6-(2-methylpropyl)-2-propylpurino[7,8-a]imidazole-1,3-dione?
4,7,8-trimethyl-6-(2-methylpropyl)-2-propylpurino[7,8-a]imidazole-1,3-dione has a molecular weight of 331.42 g/mol, XLogP of 1.83, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7,8-trimethyl-6-(2-methylpropyl)-2-propylpurino[7,8-a]imidazole-1,3-dione is sourced from PubChem (CID 16811953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).