4-(6-aminopurin-9-yl)-N-(4-methoxyphenyl)cyclohexane-1-carboxamide

C19H22N6O2 — CID 166634318

IUPAC4-(6-aminopurin-9-yl)-N-(4-methoxyphenyl)cyclohexane-1-carboxamide
SMILESCOc1ccc(NC(=O)C2CCC(n3cnc4c(N)ncnc43)CC2)cc1
InChIInChI=1S/C19H22N6O2/c1-27-15-8-4-13(5-9-15)24-19(26)12-2-6-14(7-3-12)25-11-23-16-17(20)21-10-22-18(16)25/h4-5,8-12,14H,2-3,6-7H2,1H3,(H,24,26)(H2,20,21,22)
InChIKeyUBDFPPBULIYROT-UHFFFAOYSA-N
MW366.43 g/mol
LogP2.79
Rot. Bonds4

About 4-(6-aminopurin-9-yl)-N-(4-methoxyphenyl)cyclohexane-1-carboxamide

4-(6-aminopurin-9-yl)-N-(4-methoxyphenyl)cyclohexane-1-carboxamide (PubChem CID 166634318) has the molecular formula C19H22N6O2 and a molecular weight of 366.43 g/mol. Its IUPAC name is 4-(6-aminopurin-9-yl)-N-(4-methoxyphenyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-(6-aminopurin-9-yl)-N-(4-methoxyphenyl)cyclohexane-1-carboxamide
PubChem CID166634318
Molecular FormulaC19H22N6O2
Molecular Weight366.43 g/mol
Exact Mass366.18
IUPAC Name4-(6-aminopurin-9-yl)-N-(4-methoxyphenyl)cyclohexane-1-carboxamide
SMILESCOc1ccc(NC(=O)C2CCC(n3cnc4c(N)ncnc43)CC2)cc1
InChIInChI=1S/C19H22N6O2/c1-27-15-8-4-13(5-9-15)24-19(26)12-2-6-14(7-3-12)25-11-23-16-17(20)21-10-22-18(16)25/h4-5,8-12,14H,2-3,6-7H2,1H3,(H,24,26)(H2,20,21,22)
InChIKeyUBDFPPBULIYROT-UHFFFAOYSA-N
XLogP2.79
TPSA107.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.43
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-(6-aminopurin-9-yl)-N-(4-methoxyphenyl)cyclohexane-1-carboxamide 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

4-(6-aminopurin-9-yl)-N-(3-methylsulfonylphenyl)cyclohexane-1-carboxamide
CID 166628711
3-[6-amino-9-[4-[(3-methoxyphenyl)carbamoyl]cyclohexyl]purin-2-yl]benzamide
CID 134214697
4-[6-amino-2-(2-methoxy-4-pyridinyl)purin-9-yl]-N-(3-methoxyphenyl)cyclohexane-1-carboxamide
CID 134214617
4-[6-amino-2-[4-(trifluoromethyl)phenyl]purin-9-yl]-N-(3-methoxyphenyl)cyclohexane-1-carboxamide
CID 134214691
4-[6-amino-2-(3-phenylmethoxyphenyl)purin-9-yl]-N-(3-methoxyphenyl)cyclohexane-1-carboxamide
CID 134214671
4-amino-N-(4-methoxyphenyl)cyclohexane-1-carboxamide
CID 54928395
methyl 2-[(1R,3R)-3-(6-aminopurin-9-yl)cyclopentyl]acetate
CID 15659288
4-[(3aR,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-(4-methoxyphenyl)cyclohexane-1-carboxamide
CID 2288100
1-N-cyclopentyl-4-N-(4-methoxyphenyl)cyclohexane-1,4-dicarboxamide
CID 109145869
N-(4-methoxyphenyl)-4-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109145697
methyl (1R,3aS,6S,6aR)-6-(6-aminopurin-9-yl)-1,2,3,3a,4,5,6,6a-octahydropentalene-1-carboxylate
CID 102068004
(1S,4R)-4-(6-aminopurin-9-yl)-3-[(4-methoxyphenyl)methoxy]bicyclo[3.1.0]hexane-1,2-diol
CID 71052653

Frequently Asked Questions

What is the IUPAC name of 4-(6-aminopurin-9-yl)-N-(4-methoxyphenyl)cyclohexane-1-carboxamide?
The IUPAC name of 4-(6-aminopurin-9-yl)-N-(4-methoxyphenyl)cyclohexane-1-carboxamide (CID 166634318) is 4-(6-aminopurin-9-yl)-N-(4-methoxyphenyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-(6-aminopurin-9-yl)-N-(4-methoxyphenyl)cyclohexane-1-carboxamide?
The canonical SMILES for 4-(6-aminopurin-9-yl)-N-(4-methoxyphenyl)cyclohexane-1-carboxamide is COc1ccc(NC(=O)C2CCC(n3cnc4c(N)ncnc43)CC2)cc1.
What is the InChIKey of 4-(6-aminopurin-9-yl)-N-(4-methoxyphenyl)cyclohexane-1-carboxamide?
The InChIKey is UBDFPPBULIYROT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O2/c1-27-15-8-4-13(5-9-15)24-19(26)12-2-6-14(7-3-12)25-11-23-16-17(20)21-10-22-18(16)25/h4-5,8-12,14H,2-3,6-7H2,1H3,(H,24,26)(H2,20,21,22).
What are the key properties of 4-(6-aminopurin-9-yl)-N-(4-methoxyphenyl)cyclohexane-1-carboxamide?
4-(6-aminopurin-9-yl)-N-(4-methoxyphenyl)cyclohexane-1-carboxamide has a molecular weight of 366.43 g/mol, XLogP of 2.79, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-aminopurin-9-yl)-N-(4-methoxyphenyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 166634318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).