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

C17H25N5O2 — CID 7520700

IUPAC6-butyl-4,7,8-trimethyl-2-propylpurino[7,8-a]imidazole-1,3-dione
SMILESCCCCn1c(C)c(C)n2c3c(=O)n(CCC)c(=O)n(C)c3nc12
InChIInChI=1S/C17H25N5O2/c1-6-8-10-20-11(3)12(4)22-13-14(18-16(20)22)19(5)17(24)21(9-7-2)15(13)23/h6-10H2,1-5H3
InChIKeyRAALWVRGSOJHKC-UHFFFAOYSA-N
MW331.42 g/mol
LogP1.98
Rot. Bonds5

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

6-butyl-4,7,8-trimethyl-2-propylpurino[7,8-a]imidazole-1,3-dione (PubChem CID 7520700) has the molecular formula C17H25N5O2 and a molecular weight of 331.42 g/mol. Its IUPAC name is 6-butyl-4,7,8-trimethyl-2-propylpurino[7,8-a]imidazole-1,3-dione.

Molecular Properties

Compound Name6-butyl-4,7,8-trimethyl-2-propylpurino[7,8-a]imidazole-1,3-dione
PubChem CID7520700
Molecular FormulaC17H25N5O2
Molecular Weight331.42 g/mol
Exact Mass331.20
IUPAC Name6-butyl-4,7,8-trimethyl-2-propylpurino[7,8-a]imidazole-1,3-dione
SMILESCCCCn1c(C)c(C)n2c3c(=O)n(CCC)c(=O)n(C)c3nc12
InChIInChI=1S/C17H25N5O2/c1-6-8-10-20-11(3)12(4)22-13-14(18-16(20)22)19(5)17(24)21(9-7-2)15(13)23/h6-10H2,1-5H3
InChIKeyRAALWVRGSOJHKC-UHFFFAOYSA-N
XLogP1.98
TPSA66.23 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4,7,8-trimethyl-6-(2-methylpropyl)-2-propylpurino[7,8-a]imidazole-1,3-dione
CID 16811953
6-butyl-4,7,8-trimethyl-2-[(4-methylphenyl)methyl]purino[7,8-a]imidazole-1,3-dione
CID 7520710
ethyl 3-(4,7,8-trimethyl-1,3-dioxo-6-propylpurino[7,8-a]imidazol-2-yl)propanoate
CID 3163141
2-benzyl-4,7,8-trimethyl-6-propylpurino[7,8-a]imidazole-1,3-dione
CID 6492681
4,7,8-trimethyl-2,6-bis(3-methylbutyl)purino[7,8-a]imidazole-1,3-dione
CID 7214203
4,7,8-trimethyl-2,6-bis(prop-2-enyl)purino[7,8-a]imidazole-1,3-dione
CID 3163114
2-butyl-6-(2-hydroxyphenyl)-4,7,8-trimethylpurino[7,8-a]imidazole-1,3-dione
CID 16610339
2-(2-ethoxyethyl)-4,7,8-trimethyl-6-prop-2-enylpurino[7,8-a]imidazole-1,3-dione
CID 3163122
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
6-ethyl-4,7,8-trimethyl-2-(2-morpholin-4-ylethyl)purino[7,8-a]imidazole-1,3-dione
CID 3163158
4,7,8-trimethyl-6-(1-phenylethyl)-2-propylpurino[7,8-a]imidazole-1,3-dione
CID 16614361

Frequently Asked Questions

What is the IUPAC name of 6-butyl-4,7,8-trimethyl-2-propylpurino[7,8-a]imidazole-1,3-dione?
The IUPAC name of 6-butyl-4,7,8-trimethyl-2-propylpurino[7,8-a]imidazole-1,3-dione (CID 7520700) is 6-butyl-4,7,8-trimethyl-2-propylpurino[7,8-a]imidazole-1,3-dione.
What is the SMILES notation for 6-butyl-4,7,8-trimethyl-2-propylpurino[7,8-a]imidazole-1,3-dione?
The canonical SMILES for 6-butyl-4,7,8-trimethyl-2-propylpurino[7,8-a]imidazole-1,3-dione is CCCCn1c(C)c(C)n2c3c(=O)n(CCC)c(=O)n(C)c3nc12.
What is the InChIKey of 6-butyl-4,7,8-trimethyl-2-propylpurino[7,8-a]imidazole-1,3-dione?
The InChIKey is RAALWVRGSOJHKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O2/c1-6-8-10-20-11(3)12(4)22-13-14(18-16(20)22)19(5)17(24)21(9-7-2)15(13)23/h6-10H2,1-5H3.
What are the key properties of 6-butyl-4,7,8-trimethyl-2-propylpurino[7,8-a]imidazole-1,3-dione?
6-butyl-4,7,8-trimethyl-2-propylpurino[7,8-a]imidazole-1,3-dione has a molecular weight of 331.42 g/mol, XLogP of 1.98, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butyl-4,7,8-trimethyl-2-propylpurino[7,8-a]imidazole-1,3-dione is sourced from PubChem (CID 7520700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).