carbamoyl 6-cyclohexyl-7-[(4-methylcyclohexyl)methyl]-8-morpholin-4-ylpurine-2-carboximidate

C25H37N7O3 — CID 144678392

IUPACcarbamoyl 6-cyclohexyl-7-[(4-methylcyclohexyl)methyl]-8-morpholin-4-ylpurine-2-carboximidate
SMILES[H]/N=C(\OC(N)=O)c1nc(C2CCCCC2)c2c(n1)nc(N1CCOCC1)n2CC1CCC(C)CC1
InChIInChI=1S/C25H37N7O3/c1-16-7-9-17(10-8-16)15-32-20-19(18-5-3-2-4-6-18)28-23(21(26)35-24(27)33)29-22(20)30-25(32)31-11-13-34-14-12-31/h16-18,26H,2-15H2,1H3,(H2,27,33)/b26-21-
InChIKeyVEUSHJWTSAIVOS-QLYXXIJNSA-N
MW483.62 g/mol
LogP3.96
Rot. Bonds5

About carbamoyl 6-cyclohexyl-7-[(4-methylcyclohexyl)methyl]-8-morpholin-4-ylpurine-2-carboximidate

carbamoyl 6-cyclohexyl-7-[(4-methylcyclohexyl)methyl]-8-morpholin-4-ylpurine-2-carboximidate (PubChem CID 144678392) has the molecular formula C25H37N7O3 and a molecular weight of 483.62 g/mol. Its IUPAC name is carbamoyl 6-cyclohexyl-7-[(4-methylcyclohexyl)methyl]-8-morpholin-4-ylpurine-2-carboximidate.

Molecular Properties

Compound Namecarbamoyl 6-cyclohexyl-7-[(4-methylcyclohexyl)methyl]-8-morpholin-4-ylpurine-2-carboximidate
PubChem CID144678392
Molecular FormulaC25H37N7O3
Molecular Weight483.62 g/mol
Exact Mass483.30
IUPAC Namecarbamoyl 6-cyclohexyl-7-[(4-methylcyclohexyl)methyl]-8-morpholin-4-ylpurine-2-carboximidate
SMILES[H]/N=C(\OC(N)=O)c1nc(C2CCCCC2)c2c(n1)nc(N1CCOCC1)n2CC1CCC(C)CC1
InChIInChI=1S/C25H37N7O3/c1-16-7-9-17(10-8-16)15-32-20-19(18-5-3-2-4-6-18)28-23(21(26)35-24(27)33)29-22(20)30-25(32)31-11-13-34-14-12-31/h16-18,26H,2-15H2,1H3,(H2,27,33)/b26-21-
InChIKeyVEUSHJWTSAIVOS-QLYXXIJNSA-N
XLogP3.96
TPSA132.24 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.62
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Launch Full Analysis

Related Compounds

carbamoyl 6-(3-chlorophenyl)-7-[(4-ethynylcyclohexyl)methyl]-8-morpholin-4-ylpurine-2-carboximidate
CID 123139156
5-[6-(3-methylcyclohexyl)-7-[(4-methylcyclohexyl)methyl]-8-morpholin-4-ylpurin-2-yl]-3H-1,3,4-oxadiazol-2-one
CID 134467971
carbamoyl 6-(5-chloro-2-oxo-1H-pyridin-3-yl)-8-[(3R)-3-[(Z)-hex-4-enyl]morpholin-4-yl]-7-[(4-methylcyclohexyl)methyl]purine-2-carboximidate
CID 134468275
7-[(4-methylcyclohexyl)methyl]-6-(3-methylphenyl)-8-morpholin-4-ylpurine-2-carboxylic acid
CID 118558794
6-(3-chlorophenyl)-7-(cyclohexylmethyl)-8-morpholin-4-yl-N'-nitrosopurine-2-carboximidamide
CID 134468300
carbamoyl 6-[2-[(1E)-2-chlorobuta-1,3-dienyl]iminoethyl]-8-[1-(2-fluorophenyl)ethyl]-7-[(4-methylcyclohexyl)methyl]purine-2-carboximidate
CID 134468685
4-[2-chloro-7-[(4-methylcyclohexyl)methyl]-6-(3-methylphenyl)purin-8-yl]morpholine
CID 118558979
3-[6-[[(1R)-1-cyclobutylethyl]amino]-7-[(4-methylcyclohexyl)methyl]-8-(1,4-oxazepan-4-yl)purin-2-yl]-1,2,4-oxadiazolidin-5-one
CID 134819409
6-[[(1R)-1-cyclobutylethyl]amino]-8-cyclohexyl-7-[(4-methylcyclohexyl)methyl]purine-2-carboxamide
CID 118558833
carbamoyl 6-(5-chloro-3-pyridinyl)-7-[(4-ethylcyclohexyl)methyl]-8-(4-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-yl)purine-2-carboximidate
CID 123317639
benzene;N-[(1R)-1-cyclobutylethyl]-7-(cyclohexylmethyl)-2-methylsulfanyl-8-morpholin-4-ylpurin-6-amine;ethane
CID 144678066
(Z)-[amino-[6-(3-chlorophenyl)-7-[(4-methylcyclohexyl)methyl]-8-[(3R)-3-phenylmorpholin-4-yl]purin-2-yl]methylidene]carbamic acid
CID 144678495

Frequently Asked Questions

What is the IUPAC name of carbamoyl 6-cyclohexyl-7-[(4-methylcyclohexyl)methyl]-8-morpholin-4-ylpurine-2-carboximidate?
The IUPAC name of carbamoyl 6-cyclohexyl-7-[(4-methylcyclohexyl)methyl]-8-morpholin-4-ylpurine-2-carboximidate (CID 144678392) is carbamoyl 6-cyclohexyl-7-[(4-methylcyclohexyl)methyl]-8-morpholin-4-ylpurine-2-carboximidate.
What is the SMILES notation for carbamoyl 6-cyclohexyl-7-[(4-methylcyclohexyl)methyl]-8-morpholin-4-ylpurine-2-carboximidate?
The canonical SMILES for carbamoyl 6-cyclohexyl-7-[(4-methylcyclohexyl)methyl]-8-morpholin-4-ylpurine-2-carboximidate is [H]/N=C(\OC(N)=O)c1nc(C2CCCCC2)c2c(n1)nc(N1CCOCC1)n2CC1CCC(C)CC1.
What is the InChIKey of carbamoyl 6-cyclohexyl-7-[(4-methylcyclohexyl)methyl]-8-morpholin-4-ylpurine-2-carboximidate?
The InChIKey is VEUSHJWTSAIVOS-QLYXXIJNSA-N. The full InChI is InChI=1S/C25H37N7O3/c1-16-7-9-17(10-8-16)15-32-20-19(18-5-3-2-4-6-18)28-23(21(26)35-24(27)33)29-22(20)30-25(32)31-11-13-34-14-12-31/h16-18,26H,2-15H2,1H3,(H2,27,33)/b26-21-.
What are the key properties of carbamoyl 6-cyclohexyl-7-[(4-methylcyclohexyl)methyl]-8-morpholin-4-ylpurine-2-carboximidate?
carbamoyl 6-cyclohexyl-7-[(4-methylcyclohexyl)methyl]-8-morpholin-4-ylpurine-2-carboximidate has a molecular weight of 483.62 g/mol, XLogP of 3.96, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for carbamoyl 6-cyclohexyl-7-[(4-methylcyclohexyl)methyl]-8-morpholin-4-ylpurine-2-carboximidate is sourced from PubChem (CID 144678392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).