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

C19H23N5OS — CID 5329557

IUPAC6-(cyclohexylmethoxy)-N-(3-methylsulfanylphenyl)-7H-purin-2-amine
SMILESCSc1cccc(Nc2nc(OCC3CCCCC3)c3[nH]cnc3n2)c1
InChIInChI=1S/C19H23N5OS/c1-26-15-9-5-8-14(10-15)22-19-23-17-16(20-12-21-17)18(24-19)25-11-13-6-3-2-4-7-13/h5,8-10,12-13H,2-4,6-7,11H2,1H3,(H2,20,21,22,23,24)
InChIKeyFWYWTODATDIUSD-UHFFFAOYSA-N
MW369.49 g/mol
LogP4.78
Rot. Bonds6

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

6-(cyclohexylmethoxy)-N-(3-methylsulfanylphenyl)-7H-purin-2-amine (PubChem CID 5329557) has the molecular formula C19H23N5OS and a molecular weight of 369.49 g/mol. Its IUPAC name is 6-(cyclohexylmethoxy)-N-(3-methylsulfanylphenyl)-7H-purin-2-amine.

Molecular Properties

Compound Name6-(cyclohexylmethoxy)-N-(3-methylsulfanylphenyl)-7H-purin-2-amine
PubChem CID5329557
Molecular FormulaC19H23N5OS
Molecular Weight369.49 g/mol
Exact Mass369.16
IUPAC Name6-(cyclohexylmethoxy)-N-(3-methylsulfanylphenyl)-7H-purin-2-amine
SMILESCSc1cccc(Nc2nc(OCC3CCCCC3)c3[nH]cnc3n2)c1
InChIInChI=1S/C19H23N5OS/c1-26-15-9-5-8-14(10-15)22-19-23-17-16(20-12-21-17)18(24-19)25-11-13-6-3-2-4-7-13/h5,8-10,12-13H,2-4,6-7,11H2,1H3,(H2,20,21,22,23,24)
InChIKeyFWYWTODATDIUSD-UHFFFAOYSA-N
XLogP4.78
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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
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. 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 6-(cyclohexylmethoxy)-N-(3-methylsulfanylphenyl)-7H-purin-2-amine?
The IUPAC name of 6-(cyclohexylmethoxy)-N-(3-methylsulfanylphenyl)-7H-purin-2-amine (CID 5329557) is 6-(cyclohexylmethoxy)-N-(3-methylsulfanylphenyl)-7H-purin-2-amine.
What is the SMILES notation for 6-(cyclohexylmethoxy)-N-(3-methylsulfanylphenyl)-7H-purin-2-amine?
The canonical SMILES for 6-(cyclohexylmethoxy)-N-(3-methylsulfanylphenyl)-7H-purin-2-amine is CSc1cccc(Nc2nc(OCC3CCCCC3)c3[nH]cnc3n2)c1.
What is the InChIKey of 6-(cyclohexylmethoxy)-N-(3-methylsulfanylphenyl)-7H-purin-2-amine?
The InChIKey is FWYWTODATDIUSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5OS/c1-26-15-9-5-8-14(10-15)22-19-23-17-16(20-12-21-17)18(24-19)25-11-13-6-3-2-4-7-13/h5,8-10,12-13H,2-4,6-7,11H2,1H3,(H2,20,21,22,23,24).
What are the key properties of 6-(cyclohexylmethoxy)-N-(3-methylsulfanylphenyl)-7H-purin-2-amine?
6-(cyclohexylmethoxy)-N-(3-methylsulfanylphenyl)-7H-purin-2-amine has a molecular weight of 369.49 g/mol, XLogP of 4.78, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclohexylmethoxy)-N-(3-methylsulfanylphenyl)-7H-purin-2-amine is sourced from PubChem (CID 5329557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).