9-[[6-[[(3R)-oxolan-3-yl]oxymethyl]-2-pyridinyl]methyl]-6-pyrazol-1-ylpurin-2-amine

C19H20N8O2 — CID 156901282

IUPAC9-[[6-[[(3R)-oxolan-3-yl]oxymethyl]-2-pyridinyl]methyl]-6-pyrazol-1-ylpurin-2-amine
SMILESNc1nc(-n2cccn2)c2ncn(Cc3cccc(CO[C@@H]4CCOC4)n3)c2n1
InChIInChI=1S/C19H20N8O2/c20-19-24-17-16(18(25-19)27-7-2-6-22-27)21-12-26(17)9-13-3-1-4-14(23-13)10-29-15-5-8-28-11-15/h1-4,6-7,12,15H,5,8-11H2,(H2,20,24,25)/t15-/m1/s1
InChIKeyGTPZGEPGEXLCAF-OAHLLOKOSA-N
MW392.42 g/mol
LogP1.34
Rot. Bonds6

About 9-[[6-[[(3R)-oxolan-3-yl]oxymethyl]-2-pyridinyl]methyl]-6-pyrazol-1-ylpurin-2-amine

9-[[6-[[(3R)-oxolan-3-yl]oxymethyl]-2-pyridinyl]methyl]-6-pyrazol-1-ylpurin-2-amine (PubChem CID 156901282) has the molecular formula C19H20N8O2 and a molecular weight of 392.42 g/mol. Its IUPAC name is 9-[[6-[[(3R)-oxolan-3-yl]oxymethyl]-2-pyridinyl]methyl]-6-pyrazol-1-ylpurin-2-amine.

Molecular Properties

Compound Name9-[[6-[[(3R)-oxolan-3-yl]oxymethyl]-2-pyridinyl]methyl]-6-pyrazol-1-ylpurin-2-amine
PubChem CID156901282
Molecular FormulaC19H20N8O2
Molecular Weight392.42 g/mol
Exact Mass392.17
IUPAC Name9-[[6-[[(3R)-oxolan-3-yl]oxymethyl]-2-pyridinyl]methyl]-6-pyrazol-1-ylpurin-2-amine
SMILESNc1nc(-n2cccn2)c2ncn(Cc3cccc(CO[C@@H]4CCOC4)n3)c2n1
InChIInChI=1S/C19H20N8O2/c20-19-24-17-16(18(25-19)27-7-2-6-22-27)21-12-26(17)9-13-3-1-4-14(23-13)10-29-15-5-8-28-11-15/h1-4,6-7,12,15H,5,8-11H2,(H2,20,24,25)/t15-/m1/s1
InChIKeyGTPZGEPGEXLCAF-OAHLLOKOSA-N
XLogP1.34
TPSA118.79 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.42
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 9-[[6-[[(3R)-oxolan-3-yl]oxymethyl]-2-pyridinyl]methyl]-6-pyrazol-1-ylpurin-2-amine with MolForge

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Related Compounds

3-[[6-(oxolan-3-yloxymethyl)-2-pyridinyl]methyl]triazolo[4,5-d]pyrimidin-5-amine
CID 142707802
7-(5-methylfuran-2-yl)-3-[[6-[[(3R)-oxolan-3-yl]oxymethyl]-2-pyridinyl]methyl]triazolo[4,5-d]pyrimidin-5-amine
CID 129314427
7-(5-methylfuran-2-yl)-3-[[6-(oxolan-3-yloxymethyl)-2-pyridinyl]methyl]triazolo[4,5-d]pyrimidin-5-amine
CID 75044657
2-bromo-6-[[(3R)-oxolan-3-yl]oxymethyl]pyridine
CID 154377158
2-methyl-N-[[6-(oxolan-3-yloxymethyl)-2-pyridinyl]methyl]propan-2-amine
CID 106908333
[4-[[(3S)-oxolan-3-yl]oxymethyl]pyrimidin-2-yl]methanamine
CID 142707797
9-[(3-ethyl-4-nitrophenyl)methyl]-6-pyrazol-1-ylpurin-2-amine
CID 156901364
6-(oxolan-3-yloxymethyl)pyridine-2-carbonitrile
CID 66718550
N-[6-(oxolan-3-yloxymethyl)-2-pyridinyl]acetamide
CID 154658060
[6-(2-methylbutoxymethyl)-2-pyridinyl]methanamine;[6-(oxolan-3-yloxymethyl)-2-pyridinyl]methanamine
CID 145133902
2-N-(oxan-4-ylmethyl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80846232
2-chloro-6-(oxan-4-yloxymethyl)pyridine
CID 79243769

Frequently Asked Questions

What is the IUPAC name of 9-[[6-[[(3R)-oxolan-3-yl]oxymethyl]-2-pyridinyl]methyl]-6-pyrazol-1-ylpurin-2-amine?
The IUPAC name of 9-[[6-[[(3R)-oxolan-3-yl]oxymethyl]-2-pyridinyl]methyl]-6-pyrazol-1-ylpurin-2-amine (CID 156901282) is 9-[[6-[[(3R)-oxolan-3-yl]oxymethyl]-2-pyridinyl]methyl]-6-pyrazol-1-ylpurin-2-amine.
What is the SMILES notation for 9-[[6-[[(3R)-oxolan-3-yl]oxymethyl]-2-pyridinyl]methyl]-6-pyrazol-1-ylpurin-2-amine?
The canonical SMILES for 9-[[6-[[(3R)-oxolan-3-yl]oxymethyl]-2-pyridinyl]methyl]-6-pyrazol-1-ylpurin-2-amine is Nc1nc(-n2cccn2)c2ncn(Cc3cccc(CO[C@@H]4CCOC4)n3)c2n1.
What is the InChIKey of 9-[[6-[[(3R)-oxolan-3-yl]oxymethyl]-2-pyridinyl]methyl]-6-pyrazol-1-ylpurin-2-amine?
The InChIKey is GTPZGEPGEXLCAF-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H20N8O2/c20-19-24-17-16(18(25-19)27-7-2-6-22-27)21-12-26(17)9-13-3-1-4-14(23-13)10-29-15-5-8-28-11-15/h1-4,6-7,12,15H,5,8-11H2,(H2,20,24,25)/t15-/m1/s1.
What are the key properties of 9-[[6-[[(3R)-oxolan-3-yl]oxymethyl]-2-pyridinyl]methyl]-6-pyrazol-1-ylpurin-2-amine?
9-[[6-[[(3R)-oxolan-3-yl]oxymethyl]-2-pyridinyl]methyl]-6-pyrazol-1-ylpurin-2-amine has a molecular weight of 392.42 g/mol, XLogP of 1.34, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[[6-[[(3R)-oxolan-3-yl]oxymethyl]-2-pyridinyl]methyl]-6-pyrazol-1-ylpurin-2-amine is sourced from PubChem (CID 156901282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).