8-(1-adamantylmethyl)-7H-purine

C16H20N4 — CID 114402654

IUPAC8-(1-adamantylmethyl)-7H-purine
SMILESc1ncc2[nH]c(CC34CC5CC(CC(C5)C3)C4)nc2n1
InChIInChI=1S/C16H20N4/c1-10-2-12-3-11(1)5-16(4-10,6-12)7-14-19-13-8-17-9-18-15(13)20-14/h8-12H,1-7H2,(H,17,18,19,20)
InChIKeyBQDMGOYLFSKZSK-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.11
Rot. Bonds2

About 8-(1-adamantylmethyl)-7H-purine

8-(1-adamantylmethyl)-7H-purine (PubChem CID 114402654) has the molecular formula C16H20N4 and a molecular weight of 268.36 g/mol. Its IUPAC name is 8-(1-adamantylmethyl)-7H-purine.

Molecular Properties

Compound Name8-(1-adamantylmethyl)-7H-purine
PubChem CID114402654
Molecular FormulaC16H20N4
Molecular Weight268.36 g/mol
Exact Mass268.17
IUPAC Name8-(1-adamantylmethyl)-7H-purine
SMILESc1ncc2[nH]c(CC34CC5CC(CC(C5)C3)C4)nc2n1
InChIInChI=1S/C16H20N4/c1-10-2-12-3-11(1)5-16(4-10,6-12)7-14-19-13-8-17-9-18-15(13)20-14/h8-12H,1-7H2,(H,17,18,19,20)
InChIKeyBQDMGOYLFSKZSK-UHFFFAOYSA-N
XLogP3.11
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-(1-adamantylmethyl)-7H-purine?
The IUPAC name of 8-(1-adamantylmethyl)-7H-purine (CID 114402654) is 8-(1-adamantylmethyl)-7H-purine.
What is the SMILES notation for 8-(1-adamantylmethyl)-7H-purine?
The canonical SMILES for 8-(1-adamantylmethyl)-7H-purine is c1ncc2[nH]c(CC34CC5CC(CC(C5)C3)C4)nc2n1.
What is the InChIKey of 8-(1-adamantylmethyl)-7H-purine?
The InChIKey is BQDMGOYLFSKZSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4/c1-10-2-12-3-11(1)5-16(4-10,6-12)7-14-19-13-8-17-9-18-15(13)20-14/h8-12H,1-7H2,(H,17,18,19,20).
What are the key properties of 8-(1-adamantylmethyl)-7H-purine?
8-(1-adamantylmethyl)-7H-purine has a molecular weight of 268.36 g/mol, XLogP of 3.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1-adamantylmethyl)-7H-purine is sourced from PubChem (CID 114402654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).