2-(6-methoxy-3-pyridinyl)-N-(2-morpholin-4-ylethyl)-9-thiophen-3-ylpurin-6-amine

C21H23N7O2S — CID 117089693

IUPAC2-(6-methoxy-3-pyridinyl)-N-(2-morpholin-4-ylethyl)-9-thiophen-3-ylpurin-6-amine
SMILESCOc1ccc(-c2nc(NCCN3CCOCC3)c3ncn(-c4ccsc4)c3n2)cn1
InChIInChI=1S/C21H23N7O2S/c1-29-17-3-2-15(12-23-17)19-25-20(22-5-6-27-7-9-30-10-8-27)18-21(26-19)28(14-24-18)16-4-11-31-13-16/h2-4,11-14H,5-10H2,1H3,(H,22,25,26)
InChIKeyVZYQBSWLJJUASK-UHFFFAOYSA-N
MW437.53 g/mol
LogP2.69
Rot. Bonds7

About 2-(6-methoxy-3-pyridinyl)-N-(2-morpholin-4-ylethyl)-9-thiophen-3-ylpurin-6-amine

2-(6-methoxy-3-pyridinyl)-N-(2-morpholin-4-ylethyl)-9-thiophen-3-ylpurin-6-amine (PubChem CID 117089693) has the molecular formula C21H23N7O2S and a molecular weight of 437.53 g/mol. Its IUPAC name is 2-(6-methoxy-3-pyridinyl)-N-(2-morpholin-4-ylethyl)-9-thiophen-3-ylpurin-6-amine.

Molecular Properties

Compound Name2-(6-methoxy-3-pyridinyl)-N-(2-morpholin-4-ylethyl)-9-thiophen-3-ylpurin-6-amine
PubChem CID117089693
Molecular FormulaC21H23N7O2S
Molecular Weight437.53 g/mol
Exact Mass437.16
IUPAC Name2-(6-methoxy-3-pyridinyl)-N-(2-morpholin-4-ylethyl)-9-thiophen-3-ylpurin-6-amine
SMILESCOc1ccc(-c2nc(NCCN3CCOCC3)c3ncn(-c4ccsc4)c3n2)cn1
InChIInChI=1S/C21H23N7O2S/c1-29-17-3-2-15(12-23-17)19-25-20(22-5-6-27-7-9-30-10-8-27)18-21(26-19)28(14-24-18)16-4-11-31-13-16/h2-4,11-14H,5-10H2,1H3,(H,22,25,26)
InChIKeyVZYQBSWLJJUASK-UHFFFAOYSA-N
XLogP2.69
TPSA90.22 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.53
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 2-(6-methoxy-3-pyridinyl)-N-(2-morpholin-4-ylethyl)-9-thiophen-3-ylpurin-6-amine?
The IUPAC name of 2-(6-methoxy-3-pyridinyl)-N-(2-morpholin-4-ylethyl)-9-thiophen-3-ylpurin-6-amine (CID 117089693) is 2-(6-methoxy-3-pyridinyl)-N-(2-morpholin-4-ylethyl)-9-thiophen-3-ylpurin-6-amine.
What is the SMILES notation for 2-(6-methoxy-3-pyridinyl)-N-(2-morpholin-4-ylethyl)-9-thiophen-3-ylpurin-6-amine?
The canonical SMILES for 2-(6-methoxy-3-pyridinyl)-N-(2-morpholin-4-ylethyl)-9-thiophen-3-ylpurin-6-amine is COc1ccc(-c2nc(NCCN3CCOCC3)c3ncn(-c4ccsc4)c3n2)cn1.
What is the InChIKey of 2-(6-methoxy-3-pyridinyl)-N-(2-morpholin-4-ylethyl)-9-thiophen-3-ylpurin-6-amine?
The InChIKey is VZYQBSWLJJUASK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N7O2S/c1-29-17-3-2-15(12-23-17)19-25-20(22-5-6-27-7-9-30-10-8-27)18-21(26-19)28(14-24-18)16-4-11-31-13-16/h2-4,11-14H,5-10H2,1H3,(H,22,25,26).
What are the key properties of 2-(6-methoxy-3-pyridinyl)-N-(2-morpholin-4-ylethyl)-9-thiophen-3-ylpurin-6-amine?
2-(6-methoxy-3-pyridinyl)-N-(2-morpholin-4-ylethyl)-9-thiophen-3-ylpurin-6-amine has a molecular weight of 437.53 g/mol, XLogP of 2.69, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methoxy-3-pyridinyl)-N-(2-morpholin-4-ylethyl)-9-thiophen-3-ylpurin-6-amine is sourced from PubChem (CID 117089693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).