7,8-dicyclohexyl-1,3-dimethylpurine-2,6-dione

C19H28N4O2 — CID 154715805

IUPAC7,8-dicyclohexyl-1,3-dimethylpurine-2,6-dione
SMILESCn1c(=O)c2c(nc(C3CCCCC3)n2C2CCCCC2)n(C)c1=O
InChIInChI=1S/C19H28N4O2/c1-21-17-15(18(24)22(2)19(21)25)23(14-11-7-4-8-12-14)16(20-17)13-9-5-3-6-10-13/h13-14H,3-12H2,1-2H3
InChIKeyPLUNYMCTNOFBER-UHFFFAOYSA-N
MW344.46 g/mol
LogP2.99
Rot. Bonds2

About 7,8-dicyclohexyl-1,3-dimethylpurine-2,6-dione

7,8-dicyclohexyl-1,3-dimethylpurine-2,6-dione (PubChem CID 154715805) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is 7,8-dicyclohexyl-1,3-dimethylpurine-2,6-dione.

Molecular Properties

Compound Name7,8-dicyclohexyl-1,3-dimethylpurine-2,6-dione
PubChem CID154715805
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC Name7,8-dicyclohexyl-1,3-dimethylpurine-2,6-dione
SMILESCn1c(=O)c2c(nc(C3CCCCC3)n2C2CCCCC2)n(C)c1=O
InChIInChI=1S/C19H28N4O2/c1-21-17-15(18(24)22(2)19(21)25)23(14-11-7-4-8-12-14)16(20-17)13-9-5-3-6-10-13/h13-14H,3-12H2,1-2H3
InChIKeyPLUNYMCTNOFBER-UHFFFAOYSA-N
XLogP2.99
TPSA61.82 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

8-(2-aminoethyl)-3-cyclohexyl-1,7-dimethylpurine-2,6-dione
CID 82465215
3-cyclohexyl-8-(ethylamino)-1,7-dimethylpurine-2,6-dione
CID 82465217
1,3-dimethyl-7-piperidin-4-yl-8-propan-2-ylpurine-2,6-dione
CID 82465740
7-(4-chlorophenyl)-6-cyclohexyl-2,4-dimethylpurino[7,8-a]imidazole-1,3-dione
CID 1259511
8-cyclopentyl-7-[(Z)-4-methoxy-3-methylbut-2-enyl]-1,3-dimethylpurine-2,6-dione
CID 167806740
2-(8-cyclopropyl-1,3-dimethyl-2,6-dioxopurin-7-yl)acetic acid
CID 118975757
8-amino-9-cyclohexyl-1,3-dimethylpurine-2,6-dione
CID 82463842
6-cyclohexyl-4,7-dimethyl-2-(2-methylpropyl)purino[7,8-a]imidazole-1,3-dione
CID 4885633
6-(4-hydroxycyclohexyl)-2,4-dimethyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione
CID 54768601
7-(1-aminopropan-2-yl)-3-cyclohexyl-1-methylpurine-2,6-dione
CID 82465577
1-cyclononyl-3,5-di(cyclooctyl)-1,3,5-triazinane-2,4,6-trione
CID 148955013
3-cyclohexyl-8-hydrazinyl-1-methyl-7H-purine-2,6-dione
CID 82465201

Frequently Asked Questions

What is the IUPAC name of 7,8-dicyclohexyl-1,3-dimethylpurine-2,6-dione?
The IUPAC name of 7,8-dicyclohexyl-1,3-dimethylpurine-2,6-dione (CID 154715805) is 7,8-dicyclohexyl-1,3-dimethylpurine-2,6-dione.
What is the SMILES notation for 7,8-dicyclohexyl-1,3-dimethylpurine-2,6-dione?
The canonical SMILES for 7,8-dicyclohexyl-1,3-dimethylpurine-2,6-dione is Cn1c(=O)c2c(nc(C3CCCCC3)n2C2CCCCC2)n(C)c1=O.
What is the InChIKey of 7,8-dicyclohexyl-1,3-dimethylpurine-2,6-dione?
The InChIKey is PLUNYMCTNOFBER-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2/c1-21-17-15(18(24)22(2)19(21)25)23(14-11-7-4-8-12-14)16(20-17)13-9-5-3-6-10-13/h13-14H,3-12H2,1-2H3.
What are the key properties of 7,8-dicyclohexyl-1,3-dimethylpurine-2,6-dione?
7,8-dicyclohexyl-1,3-dimethylpurine-2,6-dione has a molecular weight of 344.46 g/mol, XLogP of 2.99, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dicyclohexyl-1,3-dimethylpurine-2,6-dione is sourced from PubChem (CID 154715805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).