[(2S,6R)-4-(furan-2-ylmethyl)-6-[6-(4-phenylpiperazin-1-yl)purin-9-yl]morpholin-2-yl]methanol

C25H29N7O3 — CID 46942825

IUPAC[(2S,6R)-4-(furan-2-ylmethyl)-6-[6-(4-phenylpiperazin-1-yl)purin-9-yl]morpholin-2-yl]methanol
SMILESOC[C@@H]1CN(Cc2ccco2)C[C@H](n2cnc3c(N4CCN(c5ccccc5)CC4)ncnc32)O1
InChIInChI=1S/C25H29N7O3/c33-16-21-14-29(13-20-7-4-12-34-20)15-22(35-21)32-18-28-23-24(26-17-27-25(23)32)31-10-8-30(9-11-31)19-5-2-1-3-6-19/h1-7,12,17-18,21-22,33H,8-11,13-16H2/t21-,22+/m0/s1
InChIKeyMSPISMVBVMWVNI-FCHUYYIVSA-N
MW475.55 g/mol
LogP2.14
Rot. Bonds6

About [(2S,6R)-4-(furan-2-ylmethyl)-6-[6-(4-phenylpiperazin-1-yl)purin-9-yl]morpholin-2-yl]methanol

[(2S,6R)-4-(furan-2-ylmethyl)-6-[6-(4-phenylpiperazin-1-yl)purin-9-yl]morpholin-2-yl]methanol (PubChem CID 46942825) has the molecular formula C25H29N7O3 and a molecular weight of 475.55 g/mol. Its IUPAC name is [(2S,6R)-4-(furan-2-ylmethyl)-6-[6-(4-phenylpiperazin-1-yl)purin-9-yl]morpholin-2-yl]methanol.

Molecular Properties

Compound Name[(2S,6R)-4-(furan-2-ylmethyl)-6-[6-(4-phenylpiperazin-1-yl)purin-9-yl]morpholin-2-yl]methanol
PubChem CID46942825
Molecular FormulaC25H29N7O3
Molecular Weight475.55 g/mol
Exact Mass475.23
IUPAC Name[(2S,6R)-4-(furan-2-ylmethyl)-6-[6-(4-phenylpiperazin-1-yl)purin-9-yl]morpholin-2-yl]methanol
SMILESOC[C@@H]1CN(Cc2ccco2)C[C@H](n2cnc3c(N4CCN(c5ccccc5)CC4)ncnc32)O1
InChIInChI=1S/C25H29N7O3/c33-16-21-14-29(13-20-7-4-12-34-20)15-22(35-21)32-18-28-23-24(26-17-27-25(23)32)31-10-8-30(9-11-31)19-5-2-1-3-6-19/h1-7,12,17-18,21-22,33H,8-11,13-16H2/t21-,22+/m0/s1
InChIKeyMSPISMVBVMWVNI-FCHUYYIVSA-N
XLogP2.14
TPSA95.92 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.55
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of [(2S,6R)-4-(furan-2-ylmethyl)-6-[6-(4-phenylpiperazin-1-yl)purin-9-yl]morpholin-2-yl]methanol?
The IUPAC name of [(2S,6R)-4-(furan-2-ylmethyl)-6-[6-(4-phenylpiperazin-1-yl)purin-9-yl]morpholin-2-yl]methanol (CID 46942825) is [(2S,6R)-4-(furan-2-ylmethyl)-6-[6-(4-phenylpiperazin-1-yl)purin-9-yl]morpholin-2-yl]methanol.
What is the SMILES notation for [(2S,6R)-4-(furan-2-ylmethyl)-6-[6-(4-phenylpiperazin-1-yl)purin-9-yl]morpholin-2-yl]methanol?
The canonical SMILES for [(2S,6R)-4-(furan-2-ylmethyl)-6-[6-(4-phenylpiperazin-1-yl)purin-9-yl]morpholin-2-yl]methanol is OC[C@@H]1CN(Cc2ccco2)C[C@H](n2cnc3c(N4CCN(c5ccccc5)CC4)ncnc32)O1.
What is the InChIKey of [(2S,6R)-4-(furan-2-ylmethyl)-6-[6-(4-phenylpiperazin-1-yl)purin-9-yl]morpholin-2-yl]methanol?
The InChIKey is MSPISMVBVMWVNI-FCHUYYIVSA-N. The full InChI is InChI=1S/C25H29N7O3/c33-16-21-14-29(13-20-7-4-12-34-20)15-22(35-21)32-18-28-23-24(26-17-27-25(23)32)31-10-8-30(9-11-31)19-5-2-1-3-6-19/h1-7,12,17-18,21-22,33H,8-11,13-16H2/t21-,22+/m0/s1.
What are the key properties of [(2S,6R)-4-(furan-2-ylmethyl)-6-[6-(4-phenylpiperazin-1-yl)purin-9-yl]morpholin-2-yl]methanol?
[(2S,6R)-4-(furan-2-ylmethyl)-6-[6-(4-phenylpiperazin-1-yl)purin-9-yl]morpholin-2-yl]methanol has a molecular weight of 475.55 g/mol, XLogP of 2.14, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,6R)-4-(furan-2-ylmethyl)-6-[6-(4-phenylpiperazin-1-yl)purin-9-yl]morpholin-2-yl]methanol is sourced from PubChem (CID 46942825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).