3-[2-morpholin-4-yl-9-(oxan-2-yl)-8-thiophen-2-ylpurin-6-yl]phenol

C24H25N5O3S — CID 58102426

IUPAC3-[2-morpholin-4-yl-9-(oxan-2-yl)-8-thiophen-2-ylpurin-6-yl]phenol
SMILESOc1cccc(-c2nc(N3CCOCC3)nc3c2nc(-c2cccs2)n3C2CCCCO2)c1
InChIInChI=1S/C24H25N5O3S/c30-17-6-3-5-16(15-17)20-21-23(27-24(26-20)28-9-12-31-13-10-28)29(19-8-1-2-11-32-19)22(25-21)18-7-4-14-33-18/h3-7,14-15,19,30H,1-2,8-13H2
InChIKeyDKQYNHYDEHXDOM-UHFFFAOYSA-N
MW463.56 g/mol
LogP4.46
Rot. Bonds4

About 3-[2-morpholin-4-yl-9-(oxan-2-yl)-8-thiophen-2-ylpurin-6-yl]phenol

3-[2-morpholin-4-yl-9-(oxan-2-yl)-8-thiophen-2-ylpurin-6-yl]phenol (PubChem CID 58102426) has the molecular formula C24H25N5O3S and a molecular weight of 463.56 g/mol. Its IUPAC name is 3-[2-morpholin-4-yl-9-(oxan-2-yl)-8-thiophen-2-ylpurin-6-yl]phenol.

Molecular Properties

Compound Name3-[2-morpholin-4-yl-9-(oxan-2-yl)-8-thiophen-2-ylpurin-6-yl]phenol
PubChem CID58102426
Molecular FormulaC24H25N5O3S
Molecular Weight463.56 g/mol
Exact Mass463.17
IUPAC Name3-[2-morpholin-4-yl-9-(oxan-2-yl)-8-thiophen-2-ylpurin-6-yl]phenol
SMILESOc1cccc(-c2nc(N3CCOCC3)nc3c2nc(-c2cccs2)n3C2CCCCO2)c1
InChIInChI=1S/C24H25N5O3S/c30-17-6-3-5-16(15-17)20-21-23(27-24(26-20)28-9-12-31-13-10-28)29(19-8-1-2-11-32-19)22(25-21)18-7-4-14-33-18/h3-7,14-15,19,30H,1-2,8-13H2
InChIKeyDKQYNHYDEHXDOM-UHFFFAOYSA-N
XLogP4.46
TPSA85.53 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.56
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 3-[2-morpholin-4-yl-9-(oxan-2-yl)-8-thiophen-2-ylpurin-6-yl]phenol?
The IUPAC name of 3-[2-morpholin-4-yl-9-(oxan-2-yl)-8-thiophen-2-ylpurin-6-yl]phenol (CID 58102426) is 3-[2-morpholin-4-yl-9-(oxan-2-yl)-8-thiophen-2-ylpurin-6-yl]phenol.
What is the SMILES notation for 3-[2-morpholin-4-yl-9-(oxan-2-yl)-8-thiophen-2-ylpurin-6-yl]phenol?
The canonical SMILES for 3-[2-morpholin-4-yl-9-(oxan-2-yl)-8-thiophen-2-ylpurin-6-yl]phenol is Oc1cccc(-c2nc(N3CCOCC3)nc3c2nc(-c2cccs2)n3C2CCCCO2)c1.
What is the InChIKey of 3-[2-morpholin-4-yl-9-(oxan-2-yl)-8-thiophen-2-ylpurin-6-yl]phenol?
The InChIKey is DKQYNHYDEHXDOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O3S/c30-17-6-3-5-16(15-17)20-21-23(27-24(26-20)28-9-12-31-13-10-28)29(19-8-1-2-11-32-19)22(25-21)18-7-4-14-33-18/h3-7,14-15,19,30H,1-2,8-13H2.
What are the key properties of 3-[2-morpholin-4-yl-9-(oxan-2-yl)-8-thiophen-2-ylpurin-6-yl]phenol?
3-[2-morpholin-4-yl-9-(oxan-2-yl)-8-thiophen-2-ylpurin-6-yl]phenol has a molecular weight of 463.56 g/mol, XLogP of 4.46, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-morpholin-4-yl-9-(oxan-2-yl)-8-thiophen-2-ylpurin-6-yl]phenol is sourced from PubChem (CID 58102426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).