N-(1-adamantyl)-9-propan-2-ylpurin-6-amine

C18H25N5 — CID 56683253

IUPACN-(1-adamantyl)-9-propan-2-ylpurin-6-amine
SMILESCC(C)n1cnc2c(NC34CC5CC(CC(C5)C3)C4)ncnc21
InChIInChI=1S/C18H25N5/c1-11(2)23-10-21-15-16(19-9-20-17(15)23)22-18-6-12-3-13(7-18)5-14(4-12)8-18/h9-14H,3-8H2,1-2H3,(H,19,20,22)
InChIKeySPYACGBZJPVRHT-UHFFFAOYSA-N
MW311.43 g/mol
LogP3.79
Rot. Bonds3

About N-(1-adamantyl)-9-propan-2-ylpurin-6-amine

N-(1-adamantyl)-9-propan-2-ylpurin-6-amine (PubChem CID 56683253) has the molecular formula C18H25N5 and a molecular weight of 311.43 g/mol. Its IUPAC name is N-(1-adamantyl)-9-propan-2-ylpurin-6-amine.

Molecular Properties

Compound NameN-(1-adamantyl)-9-propan-2-ylpurin-6-amine
PubChem CID56683253
Molecular FormulaC18H25N5
Molecular Weight311.43 g/mol
Exact Mass311.21
IUPAC NameN-(1-adamantyl)-9-propan-2-ylpurin-6-amine
SMILESCC(C)n1cnc2c(NC34CC5CC(CC(C5)C3)C4)ncnc21
InChIInChI=1S/C18H25N5/c1-11(2)23-10-21-15-16(19-9-20-17(15)23)22-18-6-12-3-13(7-18)5-14(4-12)8-18/h9-14H,3-8H2,1-2H3,(H,19,20,22)
InChIKeySPYACGBZJPVRHT-UHFFFAOYSA-N
XLogP3.79
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-9-propan-2-ylpurin-6-amine?
The IUPAC name of N-(1-adamantyl)-9-propan-2-ylpurin-6-amine (CID 56683253) is N-(1-adamantyl)-9-propan-2-ylpurin-6-amine.
What is the SMILES notation for N-(1-adamantyl)-9-propan-2-ylpurin-6-amine?
The canonical SMILES for N-(1-adamantyl)-9-propan-2-ylpurin-6-amine is CC(C)n1cnc2c(NC34CC5CC(CC(C5)C3)C4)ncnc21.
What is the InChIKey of N-(1-adamantyl)-9-propan-2-ylpurin-6-amine?
The InChIKey is SPYACGBZJPVRHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5/c1-11(2)23-10-21-15-16(19-9-20-17(15)23)22-18-6-12-3-13(7-18)5-14(4-12)8-18/h9-14H,3-8H2,1-2H3,(H,19,20,22).
What are the key properties of N-(1-adamantyl)-9-propan-2-ylpurin-6-amine?
N-(1-adamantyl)-9-propan-2-ylpurin-6-amine has a molecular weight of 311.43 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-9-propan-2-ylpurin-6-amine is sourced from PubChem (CID 56683253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).