6-(4-hydroxycyclohexyl)-2,4-dimethyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione

C15H21N5O3 — CID 54768601

IUPAC6-(4-hydroxycyclohexyl)-2,4-dimethyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione
SMILESCn1c(=O)c2c(nc3n2CCN3C2CCC(O)CC2)n(C)c1=O
InChIInChI=1S/C15H21N5O3/c1-17-12-11(13(22)18(2)15(17)23)20-8-7-19(14(20)16-12)9-3-5-10(21)6-4-9/h9-10,21H,3-8H2,1-2H3
InChIKeySUGFMEFUDZKJDP-UHFFFAOYSA-N
MW319.37 g/mol
LogP-0.44
Rot. Bonds1

About 6-(4-hydroxycyclohexyl)-2,4-dimethyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione

6-(4-hydroxycyclohexyl)-2,4-dimethyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione (PubChem CID 54768601) has the molecular formula C15H21N5O3 and a molecular weight of 319.37 g/mol. Its IUPAC name is 6-(4-hydroxycyclohexyl)-2,4-dimethyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione.

Molecular Properties

Compound Name6-(4-hydroxycyclohexyl)-2,4-dimethyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione
PubChem CID54768601
Molecular FormulaC15H21N5O3
Molecular Weight319.37 g/mol
Exact Mass319.16
IUPAC Name6-(4-hydroxycyclohexyl)-2,4-dimethyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione
SMILESCn1c(=O)c2c(nc3n2CCN3C2CCC(O)CC2)n(C)c1=O
InChIInChI=1S/C15H21N5O3/c1-17-12-11(13(22)18(2)15(17)23)20-8-7-19(14(20)16-12)9-3-5-10(21)6-4-9/h9-10,21H,3-8H2,1-2H3
InChIKeySUGFMEFUDZKJDP-UHFFFAOYSA-N
XLogP-0.44
TPSA85.29 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 5-0.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

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Related Compounds

2-(9-cyclohexyl-1-methyl-2,4-dioxo-7,8-dihydro-6H-purino[7,8-a]pyrimidin-3-yl)acetamide
CID 3550418
3-[(4-chlorophenyl)methyl]-9-cyclohexyl-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione
CID 3751790
(7R)-7-hydroxy-9-(4-hydroxyphenyl)-1,3-dimethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione
CID 829276
6-(3,4-dimethylphenyl)-2,4-dimethyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione
CID 3610074
1,3,7-trimethyl-8-piperazin-1-ylpurine-2,6-dione
CID 706307
9-(4-chlorophenyl)-1,3,7-trimethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione
CID 3624660
9-(1,3-dihydroxy-2-methylpropan-2-yl)-1,3-dimethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione
CID 110175604
9-cyclohexyl-3-[(2,5-dimethylphenyl)methyl]-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione
CID 7151454
7,8-dicyclohexyl-1,3-dimethylpurine-2,6-dione
CID 154715805
1,3,7-trimethyl-8-(4-methylpiperazin-4-ium-1-yl)purine-2,6-dione
CID 6950434
2,4-dimethyl-6-(4-phenoxyphenyl)-7,8-dihydropurino[7,8-a]imidazole-1,3-dione
CID 4859162
6-(5-chloro-2-methylphenyl)-2,4-dimethyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione
CID 4891443

Frequently Asked Questions

What is the IUPAC name of 6-(4-hydroxycyclohexyl)-2,4-dimethyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione?
The IUPAC name of 6-(4-hydroxycyclohexyl)-2,4-dimethyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione (CID 54768601) is 6-(4-hydroxycyclohexyl)-2,4-dimethyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione.
What is the SMILES notation for 6-(4-hydroxycyclohexyl)-2,4-dimethyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione?
The canonical SMILES for 6-(4-hydroxycyclohexyl)-2,4-dimethyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione is Cn1c(=O)c2c(nc3n2CCN3C2CCC(O)CC2)n(C)c1=O.
What is the InChIKey of 6-(4-hydroxycyclohexyl)-2,4-dimethyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione?
The InChIKey is SUGFMEFUDZKJDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O3/c1-17-12-11(13(22)18(2)15(17)23)20-8-7-19(14(20)16-12)9-3-5-10(21)6-4-9/h9-10,21H,3-8H2,1-2H3.
What are the key properties of 6-(4-hydroxycyclohexyl)-2,4-dimethyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione?
6-(4-hydroxycyclohexyl)-2,4-dimethyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione has a molecular weight of 319.37 g/mol, XLogP of -0.44, 1 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-hydroxycyclohexyl)-2,4-dimethyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione is sourced from PubChem (CID 54768601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).