6-cyclohexyl-4,7-dimethyl-2-(2-methylpropyl)purino[7,8-a]imidazole-1,3-dione

C19H27N5O2 — CID 4885633

IUPAC6-cyclohexyl-4,7-dimethyl-2-(2-methylpropyl)purino[7,8-a]imidazole-1,3-dione
SMILESCc1cn2c3c(=O)n(CC(C)C)c(=O)n(C)c3nc2n1C1CCCCC1
InChIInChI=1S/C19H27N5O2/c1-12(2)10-23-17(25)15-16(21(4)19(23)26)20-18-22(15)11-13(3)24(18)14-8-6-5-7-9-14/h11-12,14H,5-10H2,1-4H3
InChIKeyBKOGIZKSHMMNPS-UHFFFAOYSA-N
MW357.46 g/mol
LogP2.62
Rot. Bonds3

About 6-cyclohexyl-4,7-dimethyl-2-(2-methylpropyl)purino[7,8-a]imidazole-1,3-dione

6-cyclohexyl-4,7-dimethyl-2-(2-methylpropyl)purino[7,8-a]imidazole-1,3-dione (PubChem CID 4885633) has the molecular formula C19H27N5O2 and a molecular weight of 357.46 g/mol. Its IUPAC name is 6-cyclohexyl-4,7-dimethyl-2-(2-methylpropyl)purino[7,8-a]imidazole-1,3-dione.

Molecular Properties

Compound Name6-cyclohexyl-4,7-dimethyl-2-(2-methylpropyl)purino[7,8-a]imidazole-1,3-dione
PubChem CID4885633
Molecular FormulaC19H27N5O2
Molecular Weight357.46 g/mol
Exact Mass357.22
IUPAC Name6-cyclohexyl-4,7-dimethyl-2-(2-methylpropyl)purino[7,8-a]imidazole-1,3-dione
SMILESCc1cn2c3c(=O)n(CC(C)C)c(=O)n(C)c3nc2n1C1CCCCC1
InChIInChI=1S/C19H27N5O2/c1-12(2)10-23-17(25)15-16(21(4)19(23)26)20-18-22(15)11-13(3)24(18)14-8-6-5-7-9-14/h11-12,14H,5-10H2,1-4H3
InChIKeyBKOGIZKSHMMNPS-UHFFFAOYSA-N
XLogP2.62
TPSA66.23 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

6-cyclopentyl-4,7-dimethyl-2-propylpurino[7,8-a]imidazole-1,3-dione
CID 6497182
6-cyclopentyl-4,7-dimethyl-2-(2-piperidin-1-ylethyl)purino[7,8-a]imidazole-1,3-dione
CID 6463293
6-cyclohexyl-4,7-dimethyl-2-phenacylpurino[7,8-a]imidazole-1,3-dione
CID 6492610
6-cyclopentyl-4,7-dimethyl-2-[(E)-3-phenylprop-2-enyl]purino[7,8-a]imidazole-1,3-dione
CID 6497196
4,7-dimethyl-2-(2-methylpropyl)-6-[(1R)-1-phenylethyl]purino[7,8-a]imidazole-1,3-dione
CID 41418053
6-[(4-methoxyphenyl)methyl]-4,7-dimethyl-2-(2-methylpropyl)purino[7,8-a]imidazole-1,3-dione
CID 4899896
6-ethyl-4,7-dimethyl-2-(3-methylbutyl)purino[7,8-a]imidazole-1,3-dione
CID 16615714
7-(4-chlorophenyl)-6-cyclohexyl-2,4-dimethylpurino[7,8-a]imidazole-1,3-dione
CID 1259511
6-(4-fluorophenyl)-4,7-dimethyl-2-(3-methylbutyl)purino[7,8-a]imidazole-1,3-dione
CID 7152019
4,7-dimethyl-2,6-bis(2-methylprop-2-enyl)purino[7,8-a]imidazole-1,3-dione
CID 6485051
4,7-dimethyl-2-prop-2-enyl-6-[(1S,5R)-3,3,5-trimethylcyclohexyl]purino[7,8-a]imidazole-1,3-dione
CID 7520614
6-butan-2-yl-2-butyl-4,7-dimethylpurino[7,8-a]imidazole-1,3-dione
CID 16805011

Frequently Asked Questions

What is the IUPAC name of 6-cyclohexyl-4,7-dimethyl-2-(2-methylpropyl)purino[7,8-a]imidazole-1,3-dione?
The IUPAC name of 6-cyclohexyl-4,7-dimethyl-2-(2-methylpropyl)purino[7,8-a]imidazole-1,3-dione (CID 4885633) is 6-cyclohexyl-4,7-dimethyl-2-(2-methylpropyl)purino[7,8-a]imidazole-1,3-dione.
What is the SMILES notation for 6-cyclohexyl-4,7-dimethyl-2-(2-methylpropyl)purino[7,8-a]imidazole-1,3-dione?
The canonical SMILES for 6-cyclohexyl-4,7-dimethyl-2-(2-methylpropyl)purino[7,8-a]imidazole-1,3-dione is Cc1cn2c3c(=O)n(CC(C)C)c(=O)n(C)c3nc2n1C1CCCCC1.
What is the InChIKey of 6-cyclohexyl-4,7-dimethyl-2-(2-methylpropyl)purino[7,8-a]imidazole-1,3-dione?
The InChIKey is BKOGIZKSHMMNPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O2/c1-12(2)10-23-17(25)15-16(21(4)19(23)26)20-18-22(15)11-13(3)24(18)14-8-6-5-7-9-14/h11-12,14H,5-10H2,1-4H3.
What are the key properties of 6-cyclohexyl-4,7-dimethyl-2-(2-methylpropyl)purino[7,8-a]imidazole-1,3-dione?
6-cyclohexyl-4,7-dimethyl-2-(2-methylpropyl)purino[7,8-a]imidazole-1,3-dione has a molecular weight of 357.46 g/mol, XLogP of 2.62, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclohexyl-4,7-dimethyl-2-(2-methylpropyl)purino[7,8-a]imidazole-1,3-dione is sourced from PubChem (CID 4885633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).