N-(1-adamantylmethyl)-2-fluoro-7H-purin-6-amine

C16H20FN5 — CID 118665542

IUPACN-(1-adamantylmethyl)-2-fluoro-7H-purin-6-amine
SMILESFc1nc(NCC23CC4CC(CC(C4)C2)C3)c2[nH]cnc2n1
InChIInChI=1S/C16H20FN5/c17-15-21-13(12-14(22-15)20-8-19-12)18-7-16-4-9-1-10(5-16)3-11(2-9)6-16/h8-11H,1-7H2,(H2,18,19,20,21,22)
InChIKeyIXVXCOYODHZHGE-UHFFFAOYSA-N
MW301.37 g/mol
LogP3.12
Rot. Bonds3

About N-(1-adamantylmethyl)-2-fluoro-7H-purin-6-amine

N-(1-adamantylmethyl)-2-fluoro-7H-purin-6-amine (PubChem CID 118665542) has the molecular formula C16H20FN5 and a molecular weight of 301.37 g/mol. Its IUPAC name is N-(1-adamantylmethyl)-2-fluoro-7H-purin-6-amine.

Molecular Properties

Compound NameN-(1-adamantylmethyl)-2-fluoro-7H-purin-6-amine
PubChem CID118665542
Molecular FormulaC16H20FN5
Molecular Weight301.37 g/mol
Exact Mass301.17
IUPAC NameN-(1-adamantylmethyl)-2-fluoro-7H-purin-6-amine
SMILESFc1nc(NCC23CC4CC(CC(C4)C2)C3)c2[nH]cnc2n1
InChIInChI=1S/C16H20FN5/c17-15-21-13(12-14(22-15)20-8-19-12)18-7-16-4-9-1-10(5-16)3-11(2-9)6-16/h8-11H,1-7H2,(H2,18,19,20,21,22)
InChIKeyIXVXCOYODHZHGE-UHFFFAOYSA-N
XLogP3.12
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-adamantylmethyl)-2-fluoro-7H-purin-6-amine?
The IUPAC name of N-(1-adamantylmethyl)-2-fluoro-7H-purin-6-amine (CID 118665542) is N-(1-adamantylmethyl)-2-fluoro-7H-purin-6-amine.
What is the SMILES notation for N-(1-adamantylmethyl)-2-fluoro-7H-purin-6-amine?
The canonical SMILES for N-(1-adamantylmethyl)-2-fluoro-7H-purin-6-amine is Fc1nc(NCC23CC4CC(CC(C4)C2)C3)c2[nH]cnc2n1.
What is the InChIKey of N-(1-adamantylmethyl)-2-fluoro-7H-purin-6-amine?
The InChIKey is IXVXCOYODHZHGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN5/c17-15-21-13(12-14(22-15)20-8-19-12)18-7-16-4-9-1-10(5-16)3-11(2-9)6-16/h8-11H,1-7H2,(H2,18,19,20,21,22).
What are the key properties of N-(1-adamantylmethyl)-2-fluoro-7H-purin-6-amine?
N-(1-adamantylmethyl)-2-fluoro-7H-purin-6-amine has a molecular weight of 301.37 g/mol, XLogP of 3.12, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantylmethyl)-2-fluoro-7H-purin-6-amine is sourced from PubChem (CID 118665542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).