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

C19H24N6O — CID 11792319

IUPAC[(2R)-1-(6-anilino-9-propan-2-ylpurin-2-yl)pyrrolidin-2-yl]methanol
SMILESCC(C)n1cnc2c(Nc3ccccc3)nc(N3CCC[C@@H]3CO)nc21
InChIInChI=1S/C19H24N6O/c1-13(2)25-12-20-16-17(21-14-7-4-3-5-8-14)22-19(23-18(16)25)24-10-6-9-15(24)11-26/h3-5,7-8,12-13,15,26H,6,9-11H2,1-2H3,(H,21,22,23)/t15-/m1/s1
InChIKeyHYJLTMWQVJCIAQ-OAHLLOKOSA-N
MW352.44 g/mol
LogP3.11
Rot. Bonds5

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

[(2R)-1-(6-anilino-9-propan-2-ylpurin-2-yl)pyrrolidin-2-yl]methanol (PubChem CID 11792319) has the molecular formula C19H24N6O and a molecular weight of 352.44 g/mol. Its IUPAC name is [(2R)-1-(6-anilino-9-propan-2-ylpurin-2-yl)pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2R)-1-(6-anilino-9-propan-2-ylpurin-2-yl)pyrrolidin-2-yl]methanol
PubChem CID11792319
Molecular FormulaC19H24N6O
Molecular Weight352.44 g/mol
Exact Mass352.20
IUPAC Name[(2R)-1-(6-anilino-9-propan-2-ylpurin-2-yl)pyrrolidin-2-yl]methanol
SMILESCC(C)n1cnc2c(Nc3ccccc3)nc(N3CCC[C@@H]3CO)nc21
InChIInChI=1S/C19H24N6O/c1-13(2)25-12-20-16-17(21-14-7-4-3-5-8-14)22-19(23-18(16)25)24-10-6-9-15(24)11-26/h3-5,7-8,12-13,15,26H,6,9-11H2,1-2H3,(H,21,22,23)/t15-/m1/s1
InChIKeyHYJLTMWQVJCIAQ-OAHLLOKOSA-N
XLogP3.11
TPSA79.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(6-anilino-9-propan-2-ylpurin-2-yl)pyrrolidin-2-yl]methanol?
The IUPAC name of [(2R)-1-(6-anilino-9-propan-2-ylpurin-2-yl)pyrrolidin-2-yl]methanol (CID 11792319) is [(2R)-1-(6-anilino-9-propan-2-ylpurin-2-yl)pyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2R)-1-(6-anilino-9-propan-2-ylpurin-2-yl)pyrrolidin-2-yl]methanol?
The canonical SMILES for [(2R)-1-(6-anilino-9-propan-2-ylpurin-2-yl)pyrrolidin-2-yl]methanol is CC(C)n1cnc2c(Nc3ccccc3)nc(N3CCC[C@@H]3CO)nc21.
What is the InChIKey of [(2R)-1-(6-anilino-9-propan-2-ylpurin-2-yl)pyrrolidin-2-yl]methanol?
The InChIKey is HYJLTMWQVJCIAQ-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H24N6O/c1-13(2)25-12-20-16-17(21-14-7-4-3-5-8-14)22-19(23-18(16)25)24-10-6-9-15(24)11-26/h3-5,7-8,12-13,15,26H,6,9-11H2,1-2H3,(H,21,22,23)/t15-/m1/s1.
What are the key properties of [(2R)-1-(6-anilino-9-propan-2-ylpurin-2-yl)pyrrolidin-2-yl]methanol?
[(2R)-1-(6-anilino-9-propan-2-ylpurin-2-yl)pyrrolidin-2-yl]methanol has a molecular weight of 352.44 g/mol, XLogP of 3.11, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(6-anilino-9-propan-2-ylpurin-2-yl)pyrrolidin-2-yl]methanol is sourced from PubChem (CID 11792319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).