N-(3-chlorophenyl)-6-(cyclohexylmethoxy)-7H-purin-2-amine

C18H20ClN5O — CID 4565

IUPACN-(3-chlorophenyl)-6-(cyclohexylmethoxy)-7H-purin-2-amine
SMILESClc1cccc(Nc2nc(OCC3CCCCC3)c3[nH]cnc3n2)c1
InChIInChI=1S/C18H20ClN5O/c19-13-7-4-8-14(9-13)22-18-23-16-15(20-11-21-16)17(24-18)25-10-12-5-2-1-3-6-12/h4,7-9,11-12H,1-3,5-6,10H2,(H2,20,21,22,23,24)
InChIKeyOUEGMEMDEAOAEG-UHFFFAOYSA-N
MW357.85 g/mol
LogP4.71
Rot. Bonds5

About N-(3-chlorophenyl)-6-(cyclohexylmethoxy)-7H-purin-2-amine

N-(3-chlorophenyl)-6-(cyclohexylmethoxy)-7H-purin-2-amine (PubChem CID 4565) has the molecular formula C18H20ClN5O and a molecular weight of 357.85 g/mol. Its IUPAC name is N-(3-chlorophenyl)-6-(cyclohexylmethoxy)-7H-purin-2-amine.

Molecular Properties

Compound NameN-(3-chlorophenyl)-6-(cyclohexylmethoxy)-7H-purin-2-amine
PubChem CID4565
Molecular FormulaC18H20ClN5O
Molecular Weight357.85 g/mol
Exact Mass357.14
IUPAC NameN-(3-chlorophenyl)-6-(cyclohexylmethoxy)-7H-purin-2-amine
SMILESClc1cccc(Nc2nc(OCC3CCCCC3)c3[nH]cnc3n2)c1
InChIInChI=1S/C18H20ClN5O/c19-13-7-4-8-14(9-13)22-18-23-16-15(20-11-21-16)17(24-18)25-10-12-5-2-1-3-6-12/h4,7-9,11-12H,1-3,5-6,10H2,(H2,20,21,22,23,24)
InChIKeyOUEGMEMDEAOAEG-UHFFFAOYSA-N
XLogP4.71
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.85
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-Anilino-6-cyclohexylmethoxypurine
CID 1540
O6-Cyclohexylmethoxy-2-(4'-sulphamoylanilino) purine
CID 4566
6-Cyclohexylmethyloxy-2-(4'-hydroxyanilino)purine
CID 447649
3-(6-Cyclohexylmethoxy-9H-purin-2-ylamino)-benzenesulfonamide
CID 447655
4-(6-Cyclohexylmethoxy-9H-purin-2-ylamino)--benzamide
CID 447656
6-((4-(Aminomethyl)benzyl)oxy)-9H-purin-2-amine
CID 25149605
O6-Cyclohexylmethylguanine deriv. 20
CID 5329555
O6-Cyclohexylmethylguanine deriv. 26
CID 5329560
O6-Cyclohexylmethylguanine deriv. 28
CID 5329562
O6-Cyclohexylmethylguanine deriv. 29
CID 5329563
6-(cyclohexylmethoxy)-N-(4-methylsulfonylphenyl)-7H-purin-2-amine
CID 5329564
O6-Cyclohexylmethylguanine deriv. 31
CID 5329565

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-6-(cyclohexylmethoxy)-7H-purin-2-amine?
The IUPAC name of N-(3-chlorophenyl)-6-(cyclohexylmethoxy)-7H-purin-2-amine (CID 4565) is N-(3-chlorophenyl)-6-(cyclohexylmethoxy)-7H-purin-2-amine.
What is the SMILES notation for N-(3-chlorophenyl)-6-(cyclohexylmethoxy)-7H-purin-2-amine?
The canonical SMILES for N-(3-chlorophenyl)-6-(cyclohexylmethoxy)-7H-purin-2-amine is Clc1cccc(Nc2nc(OCC3CCCCC3)c3[nH]cnc3n2)c1.
What is the InChIKey of N-(3-chlorophenyl)-6-(cyclohexylmethoxy)-7H-purin-2-amine?
The InChIKey is OUEGMEMDEAOAEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN5O/c19-13-7-4-8-14(9-13)22-18-23-16-15(20-11-21-16)17(24-18)25-10-12-5-2-1-3-6-12/h4,7-9,11-12H,1-3,5-6,10H2,(H2,20,21,22,23,24).
What are the key properties of N-(3-chlorophenyl)-6-(cyclohexylmethoxy)-7H-purin-2-amine?
N-(3-chlorophenyl)-6-(cyclohexylmethoxy)-7H-purin-2-amine has a molecular weight of 357.85 g/mol, XLogP of 4.71, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-6-(cyclohexylmethoxy)-7H-purin-2-amine is sourced from PubChem (CID 4565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).