6-(cyclohexylmethoxy)-N-(thiophen-2-ylmethyl)-7H-purin-2-amine

C17H21N5OS — CID 5329574

IUPAC6-(cyclohexylmethoxy)-N-(thiophen-2-ylmethyl)-7H-purin-2-amine
SMILESc1csc(CNc2nc(OCC3CCCCC3)c3[nH]cnc3n2)c1
InChIInChI=1S/C17H21N5OS/c1-2-5-12(6-3-1)10-23-16-14-15(20-11-19-14)21-17(22-16)18-9-13-7-4-8-24-13/h4,7-8,11-12H,1-3,5-6,9-10H2,(H2,18,19,20,21,22)
InChIKeyFTBFCDGGIMYWCL-UHFFFAOYSA-N
MW343.46 g/mol
LogP3.99
Rot. Bonds6

About 6-(cyclohexylmethoxy)-N-(thiophen-2-ylmethyl)-7H-purin-2-amine

6-(cyclohexylmethoxy)-N-(thiophen-2-ylmethyl)-7H-purin-2-amine (PubChem CID 5329574) has the molecular formula C17H21N5OS and a molecular weight of 343.46 g/mol. Its IUPAC name is 6-(cyclohexylmethoxy)-N-(thiophen-2-ylmethyl)-7H-purin-2-amine.

Molecular Properties

Compound Name6-(cyclohexylmethoxy)-N-(thiophen-2-ylmethyl)-7H-purin-2-amine
PubChem CID5329574
Molecular FormulaC17H21N5OS
Molecular Weight343.46 g/mol
Exact Mass343.15
IUPAC Name6-(cyclohexylmethoxy)-N-(thiophen-2-ylmethyl)-7H-purin-2-amine
SMILESc1csc(CNc2nc(OCC3CCCCC3)c3[nH]cnc3n2)c1
InChIInChI=1S/C17H21N5OS/c1-2-5-12(6-3-1)10-23-16-14-15(20-11-19-14)21-17(22-16)18-9-13-7-4-8-24-13/h4,7-8,11-12H,1-3,5-6,9-10H2,(H2,18,19,20,21,22)
InChIKeyFTBFCDGGIMYWCL-UHFFFAOYSA-N
XLogP3.99
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.46
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

Lomeguatrib
CID 3025944
2-Anilino-6-cyclohexylmethoxypurine
CID 1540
O6-Cyclohexylmethoxy-2-(4'-sulphamoylanilino) purine
CID 4566
3-({2-[(4-{[6-(Cyclohexylmethoxy)-9H-purin-2-YL]amino}phenyl)sulfonyl]ethyl}amino)propan-1-OL
CID 6852201
6-(cyclohexylmethoxy)-N-(4-methylsulfonylphenyl)-7H-purin-2-amine
CID 5329564
O6-Cyclohexylmethylguanine deriv. 31
CID 5329565
6-(Cyclohexylmethoxy)-N-[4-(Ethylsulfonyl)phenyl]-9h-Purin-2-Amine
CID 86280666
O6-Cyclohexylmethylguanine deriv. 22
CID 5329557
6-(cyclohexylmethoxy)-N-(4-ethenylsulfonylphenyl)-7H-purin-2-amine
CID 118704754
O6-Cyclohexylmethylguanine deriv. 44
CID 5329575
O6-Cyclohexylmethylguanine deriv. 27
CID 5329561
3-(6-phenylmethoxypurin-9-yl)-N-(thiophen-2-ylmethyl)propan-1-amine
CID 46903472

Frequently Asked Questions

What is the IUPAC name of 6-(cyclohexylmethoxy)-N-(thiophen-2-ylmethyl)-7H-purin-2-amine?
The IUPAC name of 6-(cyclohexylmethoxy)-N-(thiophen-2-ylmethyl)-7H-purin-2-amine (CID 5329574) is 6-(cyclohexylmethoxy)-N-(thiophen-2-ylmethyl)-7H-purin-2-amine.
What is the SMILES notation for 6-(cyclohexylmethoxy)-N-(thiophen-2-ylmethyl)-7H-purin-2-amine?
The canonical SMILES for 6-(cyclohexylmethoxy)-N-(thiophen-2-ylmethyl)-7H-purin-2-amine is c1csc(CNc2nc(OCC3CCCCC3)c3[nH]cnc3n2)c1.
What is the InChIKey of 6-(cyclohexylmethoxy)-N-(thiophen-2-ylmethyl)-7H-purin-2-amine?
The InChIKey is FTBFCDGGIMYWCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5OS/c1-2-5-12(6-3-1)10-23-16-14-15(20-11-19-14)21-17(22-16)18-9-13-7-4-8-24-13/h4,7-8,11-12H,1-3,5-6,9-10H2,(H2,18,19,20,21,22).
What are the key properties of 6-(cyclohexylmethoxy)-N-(thiophen-2-ylmethyl)-7H-purin-2-amine?
6-(cyclohexylmethoxy)-N-(thiophen-2-ylmethyl)-7H-purin-2-amine has a molecular weight of 343.46 g/mol, XLogP of 3.99, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclohexylmethoxy)-N-(thiophen-2-ylmethyl)-7H-purin-2-amine is sourced from PubChem (CID 5329574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).