7-(1-aminopropan-2-yl)-3-cyclohexyl-1-methylpurine-2,6-dione

C15H23N5O2 — CID 82465577

IUPAC7-(1-aminopropan-2-yl)-3-cyclohexyl-1-methylpurine-2,6-dione
SMILESCC(CN)n1cnc2c1c(=O)n(C)c(=O)n2C1CCCCC1
InChIInChI=1S/C15H23N5O2/c1-10(8-16)19-9-17-13-12(19)14(21)18(2)15(22)20(13)11-6-4-3-5-7-11/h9-11H,3-8,16H2,1-2H3
InChIKeyWAOFRJSNVFMFAM-UHFFFAOYSA-N
MW305.38 g/mol
LogP0.92
Rot. Bonds3

About 7-(1-aminopropan-2-yl)-3-cyclohexyl-1-methylpurine-2,6-dione

7-(1-aminopropan-2-yl)-3-cyclohexyl-1-methylpurine-2,6-dione (PubChem CID 82465577) has the molecular formula C15H23N5O2 and a molecular weight of 305.38 g/mol. Its IUPAC name is 7-(1-aminopropan-2-yl)-3-cyclohexyl-1-methylpurine-2,6-dione.

Molecular Properties

Compound Name7-(1-aminopropan-2-yl)-3-cyclohexyl-1-methylpurine-2,6-dione
PubChem CID82465577
Molecular FormulaC15H23N5O2
Molecular Weight305.38 g/mol
Exact Mass305.19
IUPAC Name7-(1-aminopropan-2-yl)-3-cyclohexyl-1-methylpurine-2,6-dione
SMILESCC(CN)n1cnc2c1c(=O)n(C)c(=O)n2C1CCCCC1
InChIInChI=1S/C15H23N5O2/c1-10(8-16)19-9-17-13-12(19)14(21)18(2)15(22)20(13)11-6-4-3-5-7-11/h9-11H,3-8,16H2,1-2H3
InChIKeyWAOFRJSNVFMFAM-UHFFFAOYSA-N
XLogP0.92
TPSA87.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

7-(1-aminopropan-2-yl)-1-methyl-3-propan-2-ylpurine-2,6-dione
CID 82465688
8-(2-aminoethyl)-3-cyclohexyl-1,7-dimethylpurine-2,6-dione
CID 82465215
(2R)-N-cyclohexyl-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-methylpropanamide
CID 41173318
1,7-dimethyl-3-(oxiran-2-yl)purine-2,6-dione
CID 91513962
1-cyclohexyl-3-phenyl-7-[(1R)-1-phenylethyl]purine-2,6-dione
CID 92990625
1-cyclohexyl-3-phenyl-7-(1-phenylethyl)purine-2,6-dione
CID 46163710
3-cyclohexyl-8-(ethylamino)-1,7-dimethylpurine-2,6-dione
CID 82465217
1,3-dimethyl-7-(4-phenylbutan-2-yl)purine-2,6-dione
CID 60529422
7,8-dicyclohexyl-1,3-dimethylpurine-2,6-dione
CID 154715805
3-butan-2-yl-7-methyl-1-piperidin-4-ylpurine-2,6-dione
CID 82466382
7-(difluoromethyl)-1,3-dimethylpurine-2,6-dione;ethane
CID 145188712
1-cyclohexyl-3-[4-(cyclohexylmethyl)cyclohexyl]-5-methyl-1,3,5-triazinane-2,4,6-trione
CID 130410570

Frequently Asked Questions

What is the IUPAC name of 7-(1-aminopropan-2-yl)-3-cyclohexyl-1-methylpurine-2,6-dione?
The IUPAC name of 7-(1-aminopropan-2-yl)-3-cyclohexyl-1-methylpurine-2,6-dione (CID 82465577) is 7-(1-aminopropan-2-yl)-3-cyclohexyl-1-methylpurine-2,6-dione.
What is the SMILES notation for 7-(1-aminopropan-2-yl)-3-cyclohexyl-1-methylpurine-2,6-dione?
The canonical SMILES for 7-(1-aminopropan-2-yl)-3-cyclohexyl-1-methylpurine-2,6-dione is CC(CN)n1cnc2c1c(=O)n(C)c(=O)n2C1CCCCC1.
What is the InChIKey of 7-(1-aminopropan-2-yl)-3-cyclohexyl-1-methylpurine-2,6-dione?
The InChIKey is WAOFRJSNVFMFAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O2/c1-10(8-16)19-9-17-13-12(19)14(21)18(2)15(22)20(13)11-6-4-3-5-7-11/h9-11H,3-8,16H2,1-2H3.
What are the key properties of 7-(1-aminopropan-2-yl)-3-cyclohexyl-1-methylpurine-2,6-dione?
7-(1-aminopropan-2-yl)-3-cyclohexyl-1-methylpurine-2,6-dione has a molecular weight of 305.38 g/mol, XLogP of 0.92, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-aminopropan-2-yl)-3-cyclohexyl-1-methylpurine-2,6-dione is sourced from PubChem (CID 82465577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).