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

C20H26N6O — CID 6538915

IUPAC[(2R)-1-[6-(benzylamino)-9-propan-2-ylpurin-2-yl]pyrrolidin-2-yl]methanol
SMILESCC(C)n1cnc2c(NCc3ccccc3)nc(N3CCC[C@@H]3CO)nc21
InChIInChI=1S/C20H26N6O/c1-14(2)26-13-22-17-18(21-11-15-7-4-3-5-8-15)23-20(24-19(17)26)25-10-6-9-16(25)12-27/h3-5,7-8,13-14,16,27H,6,9-12H2,1-2H3,(H,21,23,24)/t16-/m1/s1
InChIKeyAYNMLENGSDFFOL-MRXNPFEDSA-N
MW366.47 g/mol
LogP2.98
Rot. Bonds6

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

[(2R)-1-[6-(benzylamino)-9-propan-2-ylpurin-2-yl]pyrrolidin-2-yl]methanol (PubChem CID 6538915) has the molecular formula C20H26N6O and a molecular weight of 366.47 g/mol. Its IUPAC name is [(2R)-1-[6-(benzylamino)-9-propan-2-ylpurin-2-yl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2R)-1-[6-(benzylamino)-9-propan-2-ylpurin-2-yl]pyrrolidin-2-yl]methanol
PubChem CID6538915
Molecular FormulaC20H26N6O
Molecular Weight366.47 g/mol
Exact Mass366.22
IUPAC Name[(2R)-1-[6-(benzylamino)-9-propan-2-ylpurin-2-yl]pyrrolidin-2-yl]methanol
SMILESCC(C)n1cnc2c(NCc3ccccc3)nc(N3CCC[C@@H]3CO)nc21
InChIInChI=1S/C20H26N6O/c1-14(2)26-13-22-17-18(21-11-15-7-4-3-5-8-15)23-20(24-19(17)26)25-10-6-9-16(25)12-27/h3-5,7-8,13-14,16,27H,6,9-12H2,1-2H3,(H,21,23,24)/t16-/m1/s1
InChIKeyAYNMLENGSDFFOL-MRXNPFEDSA-N
XLogP2.98
TPSA79.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 52.98
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-propan-2-ylpurin-2-yl]pyrrolidin-2-yl]methanol?
The IUPAC name of [(2R)-1-[6-(benzylamino)-9-propan-2-ylpurin-2-yl]pyrrolidin-2-yl]methanol (CID 6538915) is [(2R)-1-[6-(benzylamino)-9-propan-2-ylpurin-2-yl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2R)-1-[6-(benzylamino)-9-propan-2-ylpurin-2-yl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [(2R)-1-[6-(benzylamino)-9-propan-2-ylpurin-2-yl]pyrrolidin-2-yl]methanol is CC(C)n1cnc2c(NCc3ccccc3)nc(N3CCC[C@@H]3CO)nc21.
What is the InChIKey of [(2R)-1-[6-(benzylamino)-9-propan-2-ylpurin-2-yl]pyrrolidin-2-yl]methanol?
The InChIKey is AYNMLENGSDFFOL-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H26N6O/c1-14(2)26-13-22-17-18(21-11-15-7-4-3-5-8-15)23-20(24-19(17)26)25-10-6-9-16(25)12-27/h3-5,7-8,13-14,16,27H,6,9-12H2,1-2H3,(H,21,23,24)/t16-/m1/s1.
What are the key properties of [(2R)-1-[6-(benzylamino)-9-propan-2-ylpurin-2-yl]pyrrolidin-2-yl]methanol?
[(2R)-1-[6-(benzylamino)-9-propan-2-ylpurin-2-yl]pyrrolidin-2-yl]methanol has a molecular weight of 366.47 g/mol, XLogP of 2.98, 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-propan-2-ylpurin-2-yl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 6538915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).