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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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).