2-cyclobutyloxy-8-methoxy-9-(4-piperidin-1-ylbutyl)purin-6-amine

C19H30N6O2 — CID 66727010

IUPAC2-cyclobutyloxy-8-methoxy-9-(4-piperidin-1-ylbutyl)purin-6-amine
SMILESCOc1nc2c(N)nc(OC3CCC3)nc2n1CCCCN1CCCCC1
InChIInChI=1S/C19H30N6O2/c1-26-19-21-15-16(20)22-18(27-14-8-7-9-14)23-17(15)25(19)13-6-5-12-24-10-3-2-4-11-24/h14H,2-13H2,1H3,(H2,20,22,23)
InChIKeyBCBFFCOSOYQXOO-UHFFFAOYSA-N
MW374.49 g/mol
LogP2.61
Rot. Bonds8

About 2-cyclobutyloxy-8-methoxy-9-(4-piperidin-1-ylbutyl)purin-6-amine

2-cyclobutyloxy-8-methoxy-9-(4-piperidin-1-ylbutyl)purin-6-amine (PubChem CID 66727010) has the molecular formula C19H30N6O2 and a molecular weight of 374.49 g/mol. Its IUPAC name is 2-cyclobutyloxy-8-methoxy-9-(4-piperidin-1-ylbutyl)purin-6-amine.

Molecular Properties

Compound Name2-cyclobutyloxy-8-methoxy-9-(4-piperidin-1-ylbutyl)purin-6-amine
PubChem CID66727010
Molecular FormulaC19H30N6O2
Molecular Weight374.49 g/mol
Exact Mass374.24
IUPAC Name2-cyclobutyloxy-8-methoxy-9-(4-piperidin-1-ylbutyl)purin-6-amine
SMILESCOc1nc2c(N)nc(OC3CCC3)nc2n1CCCCN1CCCCC1
InChIInChI=1S/C19H30N6O2/c1-26-19-21-15-16(20)22-18(27-14-8-7-9-14)23-17(15)25(19)13-6-5-12-24-10-3-2-4-11-24/h14H,2-13H2,1H3,(H2,20,22,23)
InChIKeyBCBFFCOSOYQXOO-UHFFFAOYSA-N
XLogP2.61
TPSA91.32 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-cyclohexyloxy-8-methoxy-9-[4-(4-propan-2-ylpiperazin-1-yl)butyl]purin-6-amine
CID 67183904
8-methoxy-9-(5-piperidin-1-ylpentyl)purin-6-amine
CID 91285974
2-butoxy-9-[5-(4-ethylpiperazin-1-yl)pentyl]-8-methoxypurin-6-amine
CID 58291024
2-butoxy-9-[6-(4-ethylpiperazin-1-yl)hexyl]-8-methoxypurin-6-amine
CID 58291076
2-butoxy-9-[3-(4-ethylpiperazin-1-yl)propyl]-8-methoxypurin-6-amine
CID 58291008
9-(4-bromobutyl)-2-butoxy-8-methoxypurin-6-amine
CID 23158511
3-(6-amino-2-butoxy-8-methoxypurin-9-yl)propyl-tert-butylcarbamic acid
CID 66781348
8-methoxy-9-[3-(oxolan-2-ylmethylamino)propyl]-2-[(2S)-pentan-2-yl]oxypurin-6-amine
CID 67211502
8-methoxy-9-[3-[2-(oxolan-2-yl)ethylamino]propyl]-2-pentan-2-yloxypurin-6-amine
CID 77241502
8-(furan-2-yl)-2-(3-phenylpropoxy)-9-(4-piperidin-1-ylbutyl)purin-6-amine
CID 69336278
benzyl 3-[3-(6-amino-8-methoxy-2-pentan-2-yloxypurin-9-yl)propyl]piperidine-1-carboxylate
CID 76754639
2-butoxy-8-methoxy-9-(piperidin-3-ylmethyl)purin-6-amine
CID 58306241

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyloxy-8-methoxy-9-(4-piperidin-1-ylbutyl)purin-6-amine?
The IUPAC name of 2-cyclobutyloxy-8-methoxy-9-(4-piperidin-1-ylbutyl)purin-6-amine (CID 66727010) is 2-cyclobutyloxy-8-methoxy-9-(4-piperidin-1-ylbutyl)purin-6-amine.
What is the SMILES notation for 2-cyclobutyloxy-8-methoxy-9-(4-piperidin-1-ylbutyl)purin-6-amine?
The canonical SMILES for 2-cyclobutyloxy-8-methoxy-9-(4-piperidin-1-ylbutyl)purin-6-amine is COc1nc2c(N)nc(OC3CCC3)nc2n1CCCCN1CCCCC1.
What is the InChIKey of 2-cyclobutyloxy-8-methoxy-9-(4-piperidin-1-ylbutyl)purin-6-amine?
The InChIKey is BCBFFCOSOYQXOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N6O2/c1-26-19-21-15-16(20)22-18(27-14-8-7-9-14)23-17(15)25(19)13-6-5-12-24-10-3-2-4-11-24/h14H,2-13H2,1H3,(H2,20,22,23).
What are the key properties of 2-cyclobutyloxy-8-methoxy-9-(4-piperidin-1-ylbutyl)purin-6-amine?
2-cyclobutyloxy-8-methoxy-9-(4-piperidin-1-ylbutyl)purin-6-amine has a molecular weight of 374.49 g/mol, XLogP of 2.61, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyloxy-8-methoxy-9-(4-piperidin-1-ylbutyl)purin-6-amine is sourced from PubChem (CID 66727010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).