2-(8-chloro-1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]acetamide

C17H24ClN5O3 — CID 11920990

IUPAC2-(8-chloro-1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]acetamide
SMILESC[C@H]1[C@@H](NC(=O)Cn2c(Cl)nc3c2c(=O)n(C)c(=O)n3C)CCC[C@@H]1C
InChIInChI=1S/C17H24ClN5O3/c1-9-6-5-7-11(10(9)2)19-12(24)8-23-13-14(20-16(23)18)21(3)17(26)22(4)15(13)25/h9-11H,5-8H2,1-4H3,(H,19,24)/t9-,10+,11-/m0/s1
InChIKeyLJHGUWFRYFWLTO-AXFHLTTASA-N
MW381.86 g/mol
LogP1.03
Rot. Bonds3

About 2-(8-chloro-1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]acetamide

2-(8-chloro-1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]acetamide (PubChem CID 11920990) has the molecular formula C17H24ClN5O3 and a molecular weight of 381.86 g/mol. Its IUPAC name is 2-(8-chloro-1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]acetamide.

Molecular Properties

Compound Name2-(8-chloro-1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]acetamide
PubChem CID11920990
Molecular FormulaC17H24ClN5O3
Molecular Weight381.86 g/mol
Exact Mass381.16
IUPAC Name2-(8-chloro-1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]acetamide
SMILESC[C@H]1[C@@H](NC(=O)Cn2c(Cl)nc3c2c(=O)n(C)c(=O)n3C)CCC[C@@H]1C
InChIInChI=1S/C17H24ClN5O3/c1-9-6-5-7-11(10(9)2)19-12(24)8-23-13-14(20-16(23)18)21(3)17(26)22(4)15(13)25/h9-11H,5-8H2,1-4H3,(H,19,24)/t9-,10+,11-/m0/s1
InChIKeyLJHGUWFRYFWLTO-AXFHLTTASA-N
XLogP1.03
TPSA90.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.86
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-(8-chloro-1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(8-chloro-1,3-dimethyl-2,6-dioxopurin-7-yl)-N-cycloheptylacetamide
CID 51139859
2-(8-chloro-1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(cyclopentylcarbamoyl)acetamide
CID 8018000
[2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetate
CID 5135668
2-(8-chloro-1,3-dimethyl-2,6-dioxopurin-7-yl)-N-pentan-3-ylacetamide
CID 8017982
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methylcyclohexyl)acetamide
CID 4875317
N-(2,3-dimethylcyclohexyl)-2-(1-methyl-2,4-dioxoquinazolin-3-yl)acetamide
CID 4101198
N-(tert-butylcarbamoyl)-2-(8-chloro-1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide
CID 2513556
2-(8-chloro-1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[(2R)-octan-2-yl]acetamide
CID 9201830
2-(8-chloro-1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2,2,2-trifluoroethylcarbamoyl)acetamide
CID 26761255
ethyl 2-(8-chloro-1,3-dimethyl-2,6-dioxopurin-7-yl)acetate
CID 703754
N-(2-acetylphenyl)-2-(8-chloro-1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide
CID 8017989
2-(8-chloro-1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(cyanomethyl)phenyl]acetamide
CID 8870939

Frequently Asked Questions

What is the IUPAC name of 2-(8-chloro-1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]acetamide?
The IUPAC name of 2-(8-chloro-1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]acetamide (CID 11920990) is 2-(8-chloro-1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]acetamide.
What is the SMILES notation for 2-(8-chloro-1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]acetamide?
The canonical SMILES for 2-(8-chloro-1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]acetamide is C[C@H]1[C@@H](NC(=O)Cn2c(Cl)nc3c2c(=O)n(C)c(=O)n3C)CCC[C@@H]1C.
What is the InChIKey of 2-(8-chloro-1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]acetamide?
The InChIKey is LJHGUWFRYFWLTO-AXFHLTTASA-N. The full InChI is InChI=1S/C17H24ClN5O3/c1-9-6-5-7-11(10(9)2)19-12(24)8-23-13-14(20-16(23)18)21(3)17(26)22(4)15(13)25/h9-11H,5-8H2,1-4H3,(H,19,24)/t9-,10+,11-/m0/s1.
What are the key properties of 2-(8-chloro-1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]acetamide?
2-(8-chloro-1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]acetamide has a molecular weight of 381.86 g/mol, XLogP of 1.03, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-chloro-1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]acetamide is sourced from PubChem (CID 11920990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).