6-(cyclohexylmethoxy)-N-(4-ethylsulfonylphenyl)-7H-purin-2-amine

C20H25N5O3S — CID 86280666

IUPAC6-(cyclohexylmethoxy)-N-(4-ethylsulfonylphenyl)-7H-purin-2-amine
SMILESCCS(=O)(=O)c1ccc(Nc2nc(OCC3CCCCC3)c3[nH]cnc3n2)cc1
InChIInChI=1S/C20H25N5O3S/c1-2-29(26,27)16-10-8-15(9-11-16)23-20-24-18-17(21-13-22-18)19(25-20)28-12-14-6-4-3-5-7-14/h8-11,13-14H,2-7,12H2,1H3,(H2,21,22,23,24,25)
InChIKeySIKZOJIFMBUYSK-UHFFFAOYSA-N
MW415.52 g/mol
LogP3.85
Rot. Bonds7

About 6-(cyclohexylmethoxy)-N-(4-ethylsulfonylphenyl)-7H-purin-2-amine

6-(cyclohexylmethoxy)-N-(4-ethylsulfonylphenyl)-7H-purin-2-amine (PubChem CID 86280666) has the molecular formula C20H25N5O3S and a molecular weight of 415.52 g/mol. Its IUPAC name is 6-(cyclohexylmethoxy)-N-(4-ethylsulfonylphenyl)-7H-purin-2-amine.

Molecular Properties

Compound Name6-(cyclohexylmethoxy)-N-(4-ethylsulfonylphenyl)-7H-purin-2-amine
PubChem CID86280666
Molecular FormulaC20H25N5O3S
Molecular Weight415.52 g/mol
Exact Mass415.17
IUPAC Name6-(cyclohexylmethoxy)-N-(4-ethylsulfonylphenyl)-7H-purin-2-amine
SMILESCCS(=O)(=O)c1ccc(Nc2nc(OCC3CCCCC3)c3[nH]cnc3n2)cc1
InChIInChI=1S/C20H25N5O3S/c1-2-29(26,27)16-10-8-15(9-11-16)23-20-24-18-17(21-13-22-18)19(25-20)28-12-14-6-4-3-5-7-14/h8-11,13-14H,2-7,12H2,1H3,(H2,21,22,23,24,25)
InChIKeySIKZOJIFMBUYSK-UHFFFAOYSA-N
XLogP3.85
TPSA109.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.52
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-Anilino-6-cyclohexylmethoxypurine
CID 1540
O6-Cyclohexylmethoxy-2-(4'-sulphamoylanilino) purine
CID 4566
3-(6-Cyclohexylmethoxy-9H-purin-2-ylamino)-benzenesulfonamide
CID 447655
3-({2-[(4-{[6-(Cyclohexylmethoxy)-9H-purin-2-YL]amino}phenyl)sulfonyl]ethyl}amino)propan-1-OL
CID 6852201
6-Cyclohexylmethoxy-2-(3'-chloroanilino) purine
CID 4565
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
O6-Cyclohexylmethylguanine deriv. 32
CID 5329566
O6-Cyclohexylmethylguanine deriv. 42
CID 5329573

Frequently Asked Questions

What is the IUPAC name of 6-(cyclohexylmethoxy)-N-(4-ethylsulfonylphenyl)-7H-purin-2-amine?
The IUPAC name of 6-(cyclohexylmethoxy)-N-(4-ethylsulfonylphenyl)-7H-purin-2-amine (CID 86280666) is 6-(cyclohexylmethoxy)-N-(4-ethylsulfonylphenyl)-7H-purin-2-amine.
What is the SMILES notation for 6-(cyclohexylmethoxy)-N-(4-ethylsulfonylphenyl)-7H-purin-2-amine?
The canonical SMILES for 6-(cyclohexylmethoxy)-N-(4-ethylsulfonylphenyl)-7H-purin-2-amine is CCS(=O)(=O)c1ccc(Nc2nc(OCC3CCCCC3)c3[nH]cnc3n2)cc1.
What is the InChIKey of 6-(cyclohexylmethoxy)-N-(4-ethylsulfonylphenyl)-7H-purin-2-amine?
The InChIKey is SIKZOJIFMBUYSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O3S/c1-2-29(26,27)16-10-8-15(9-11-16)23-20-24-18-17(21-13-22-18)19(25-20)28-12-14-6-4-3-5-7-14/h8-11,13-14H,2-7,12H2,1H3,(H2,21,22,23,24,25).
What are the key properties of 6-(cyclohexylmethoxy)-N-(4-ethylsulfonylphenyl)-7H-purin-2-amine?
6-(cyclohexylmethoxy)-N-(4-ethylsulfonylphenyl)-7H-purin-2-amine has a molecular weight of 415.52 g/mol, XLogP of 3.85, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclohexylmethoxy)-N-(4-ethylsulfonylphenyl)-7H-purin-2-amine is sourced from PubChem (CID 86280666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).