2-butoxy-8-methoxy-9-[2-(oxan-4-ylmethoxy)ethyl]-7,8-dihydropurin-6-amine

C18H31N5O4 — CID 91510004

IUPAC2-butoxy-8-methoxy-9-[2-(oxan-4-ylmethoxy)ethyl]-7,8-dihydropurin-6-amine
SMILESCCCCOc1nc(N)c2c(n1)N(CCOCC1CCOCC1)C(OC)N2
InChIInChI=1S/C18H31N5O4/c1-3-4-8-27-17-21-15(19)14-16(22-17)23(18(20-14)24-2)7-11-26-12-13-5-9-25-10-6-13/h13,18,20H,3-12H2,1-2H3,(H2,19,21,22)
InChIKeyJPFGHPILHSSUIH-UHFFFAOYSA-N
MW381.48 g/mol
LogP1.84
Rot. Bonds10

About 2-butoxy-8-methoxy-9-[2-(oxan-4-ylmethoxy)ethyl]-7,8-dihydropurin-6-amine

2-butoxy-8-methoxy-9-[2-(oxan-4-ylmethoxy)ethyl]-7,8-dihydropurin-6-amine (PubChem CID 91510004) has the molecular formula C18H31N5O4 and a molecular weight of 381.48 g/mol. Its IUPAC name is 2-butoxy-8-methoxy-9-[2-(oxan-4-ylmethoxy)ethyl]-7,8-dihydropurin-6-amine.

Molecular Properties

Compound Name2-butoxy-8-methoxy-9-[2-(oxan-4-ylmethoxy)ethyl]-7,8-dihydropurin-6-amine
PubChem CID91510004
Molecular FormulaC18H31N5O4
Molecular Weight381.48 g/mol
Exact Mass381.24
IUPAC Name2-butoxy-8-methoxy-9-[2-(oxan-4-ylmethoxy)ethyl]-7,8-dihydropurin-6-amine
SMILESCCCCOc1nc(N)c2c(n1)N(CCOCC1CCOCC1)C(OC)N2
InChIInChI=1S/C18H31N5O4/c1-3-4-8-27-17-21-15(19)14-16(22-17)23(18(20-14)24-2)7-11-26-12-13-5-9-25-10-6-13/h13,18,20H,3-12H2,1-2H3,(H2,19,21,22)
InChIKeyJPFGHPILHSSUIH-UHFFFAOYSA-N
XLogP1.84
TPSA103.99 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 2-butoxy-8-methoxy-9-[2-(oxan-4-ylmethoxy)ethyl]-7,8-dihydropurin-6-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-butoxy-8-methoxy-9-[2-(oxan-4-ylmethoxy)ethyl]-7,8-dihydropurin-6-amine?
The IUPAC name of 2-butoxy-8-methoxy-9-[2-(oxan-4-ylmethoxy)ethyl]-7,8-dihydropurin-6-amine (CID 91510004) is 2-butoxy-8-methoxy-9-[2-(oxan-4-ylmethoxy)ethyl]-7,8-dihydropurin-6-amine.
What is the SMILES notation for 2-butoxy-8-methoxy-9-[2-(oxan-4-ylmethoxy)ethyl]-7,8-dihydropurin-6-amine?
The canonical SMILES for 2-butoxy-8-methoxy-9-[2-(oxan-4-ylmethoxy)ethyl]-7,8-dihydropurin-6-amine is CCCCOc1nc(N)c2c(n1)N(CCOCC1CCOCC1)C(OC)N2.
What is the InChIKey of 2-butoxy-8-methoxy-9-[2-(oxan-4-ylmethoxy)ethyl]-7,8-dihydropurin-6-amine?
The InChIKey is JPFGHPILHSSUIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N5O4/c1-3-4-8-27-17-21-15(19)14-16(22-17)23(18(20-14)24-2)7-11-26-12-13-5-9-25-10-6-13/h13,18,20H,3-12H2,1-2H3,(H2,19,21,22).
What are the key properties of 2-butoxy-8-methoxy-9-[2-(oxan-4-ylmethoxy)ethyl]-7,8-dihydropurin-6-amine?
2-butoxy-8-methoxy-9-[2-(oxan-4-ylmethoxy)ethyl]-7,8-dihydropurin-6-amine has a molecular weight of 381.48 g/mol, XLogP of 1.84, 10 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxy-8-methoxy-9-[2-(oxan-4-ylmethoxy)ethyl]-7,8-dihydropurin-6-amine is sourced from PubChem (CID 91510004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).