[(2R)-1-[6-(benzylamino)-9-cyclopentylpurin-2-yl]pyrrolidin-2-yl]methanol

C22H28N6O — CID 6538929

IUPAC[(2R)-1-[6-(benzylamino)-9-cyclopentylpurin-2-yl]pyrrolidin-2-yl]methanol
SMILESOC[C@H]1CCCN1c1nc(NCc2ccccc2)c2ncn(C3CCCC3)c2n1
InChIInChI=1S/C22H28N6O/c29-14-18-11-6-12-27(18)22-25-20(23-13-16-7-2-1-3-8-16)19-21(26-22)28(15-24-19)17-9-4-5-10-17/h1-3,7-8,15,17-18,29H,4-6,9-14H2,(H,23,25,26)/t18-/m1/s1
InChIKeyXZWSEBMTGSWQPC-GOSISDBHSA-N
MW392.51 g/mol
LogP3.51
Rot. Bonds6

About [(2R)-1-[6-(benzylamino)-9-cyclopentylpurin-2-yl]pyrrolidin-2-yl]methanol

[(2R)-1-[6-(benzylamino)-9-cyclopentylpurin-2-yl]pyrrolidin-2-yl]methanol (PubChem CID 6538929) has the molecular formula C22H28N6O and a molecular weight of 392.51 g/mol. Its IUPAC name is [(2R)-1-[6-(benzylamino)-9-cyclopentylpurin-2-yl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2R)-1-[6-(benzylamino)-9-cyclopentylpurin-2-yl]pyrrolidin-2-yl]methanol
PubChem CID6538929
Molecular FormulaC22H28N6O
Molecular Weight392.51 g/mol
Exact Mass392.23
IUPAC Name[(2R)-1-[6-(benzylamino)-9-cyclopentylpurin-2-yl]pyrrolidin-2-yl]methanol
SMILESOC[C@H]1CCCN1c1nc(NCc2ccccc2)c2ncn(C3CCCC3)c2n1
InChIInChI=1S/C22H28N6O/c29-14-18-11-6-12-27(18)22-25-20(23-13-16-7-2-1-3-8-16)19-21(26-22)28(15-24-19)17-9-4-5-10-17/h1-3,7-8,15,17-18,29H,4-6,9-14H2,(H,23,25,26)/t18-/m1/s1
InChIKeyXZWSEBMTGSWQPC-GOSISDBHSA-N
XLogP3.51
TPSA79.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.51
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [(2R)-1-[6-(benzylamino)-9-cyclopentylpurin-2-yl]pyrrolidin-2-yl]methanol?
The IUPAC name of [(2R)-1-[6-(benzylamino)-9-cyclopentylpurin-2-yl]pyrrolidin-2-yl]methanol (CID 6538929) is [(2R)-1-[6-(benzylamino)-9-cyclopentylpurin-2-yl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2R)-1-[6-(benzylamino)-9-cyclopentylpurin-2-yl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [(2R)-1-[6-(benzylamino)-9-cyclopentylpurin-2-yl]pyrrolidin-2-yl]methanol is OC[C@H]1CCCN1c1nc(NCc2ccccc2)c2ncn(C3CCCC3)c2n1.
What is the InChIKey of [(2R)-1-[6-(benzylamino)-9-cyclopentylpurin-2-yl]pyrrolidin-2-yl]methanol?
The InChIKey is XZWSEBMTGSWQPC-GOSISDBHSA-N. The full InChI is InChI=1S/C22H28N6O/c29-14-18-11-6-12-27(18)22-25-20(23-13-16-7-2-1-3-8-16)19-21(26-22)28(15-24-19)17-9-4-5-10-17/h1-3,7-8,15,17-18,29H,4-6,9-14H2,(H,23,25,26)/t18-/m1/s1.
What are the key properties of [(2R)-1-[6-(benzylamino)-9-cyclopentylpurin-2-yl]pyrrolidin-2-yl]methanol?
[(2R)-1-[6-(benzylamino)-9-cyclopentylpurin-2-yl]pyrrolidin-2-yl]methanol has a molecular weight of 392.51 g/mol, XLogP of 3.51, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-[6-(benzylamino)-9-cyclopentylpurin-2-yl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 6538929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).