8-methoxy-9-[3-(oxolan-2-ylmethylamino)propyl]-2-[(2S)-pentan-2-yl]oxypurin-6-amine

C19H32N6O3 — CID 67211502

IUPAC8-methoxy-9-[3-(oxolan-2-ylmethylamino)propyl]-2-[(2S)-pentan-2-yl]oxypurin-6-amine
SMILESCCC[C@H](C)Oc1nc(N)c2nc(OC)n(CCCNCC3CCCO3)c2n1
InChIInChI=1S/C19H32N6O3/c1-4-7-13(2)28-18-23-16(20)15-17(24-18)25(19(22-15)26-3)10-6-9-21-12-14-8-5-11-27-14/h13-14,21H,4-12H2,1-3H3,(H2,20,23,24)/t13-,14?/m0/s1
InChIKeyRJMLWJUJDUHXQH-LSLKUGRBSA-N
MW392.50 g/mol
LogP2.14
Rot. Bonds11

About 8-methoxy-9-[3-(oxolan-2-ylmethylamino)propyl]-2-[(2S)-pentan-2-yl]oxypurin-6-amine

8-methoxy-9-[3-(oxolan-2-ylmethylamino)propyl]-2-[(2S)-pentan-2-yl]oxypurin-6-amine (PubChem CID 67211502) has the molecular formula C19H32N6O3 and a molecular weight of 392.50 g/mol. Its IUPAC name is 8-methoxy-9-[3-(oxolan-2-ylmethylamino)propyl]-2-[(2S)-pentan-2-yl]oxypurin-6-amine.

Molecular Properties

Compound Name8-methoxy-9-[3-(oxolan-2-ylmethylamino)propyl]-2-[(2S)-pentan-2-yl]oxypurin-6-amine
PubChem CID67211502
Molecular FormulaC19H32N6O3
Molecular Weight392.50 g/mol
Exact Mass392.25
IUPAC Name8-methoxy-9-[3-(oxolan-2-ylmethylamino)propyl]-2-[(2S)-pentan-2-yl]oxypurin-6-amine
SMILESCCC[C@H](C)Oc1nc(N)c2nc(OC)n(CCCNCC3CCCO3)c2n1
InChIInChI=1S/C19H32N6O3/c1-4-7-13(2)28-18-23-16(20)15-17(24-18)25(19(22-15)26-3)10-6-9-21-12-14-8-5-11-27-14/h13-14,21H,4-12H2,1-3H3,(H2,20,23,24)/t13-,14?/m0/s1
InChIKeyRJMLWJUJDUHXQH-LSLKUGRBSA-N
XLogP2.14
TPSA109.34 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 8-methoxy-9-[3-(oxolan-2-ylmethylamino)propyl]-2-[(2S)-pentan-2-yl]oxypurin-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

Related Compounds

8-methoxy-9-[3-[2-(oxolan-2-yl)ethylamino]propyl]-2-pentan-2-yloxypurin-6-amine
CID 77241502
2-N-butyl-8-methoxy-9-[3-(oxolan-2-ylmethylamino)propyl]purine-2,6-diamine
CID 67211919
2-N-butyl-8-methoxy-9-[3-[2-(oxolan-2-yl)ethylamino]propyl]purine-2,6-diamine
CID 67211731
6-amino-9-[5-(oxan-4-ylmethylamino)pentyl]-2-[(2S)-pentan-2-yl]oxy-7H-purin-8-one
CID 44815650
benzyl 3-[3-(6-amino-8-methoxy-2-pentan-2-yloxypurin-9-yl)propyl]piperidine-1-carboxylate
CID 76754639
6-amino-2-(butylamino)-9-[3-(oxolan-2-ylmethylamino)propyl]-7H-purin-8-one
CID 67224012
9-(4-bromobutyl)-2-butoxy-8-methoxypurin-6-amine
CID 23158511
2-cyclobutyloxy-8-methoxy-9-(4-piperidin-1-ylbutyl)purin-6-amine
CID 66727010
6-amino-9-[5-(oxan-4-ylamino)pentyl]-2-[(2S)-pentan-2-yl]oxy-7H-purin-8-one
CID 44623938
6-amino-9-[3-(oxan-4-yl)propyl]-2-[(2R)-pentan-2-yl]oxy-7H-purin-8-one
CID 25024571
2-butoxy-9-[3-(4-ethylpiperazin-1-yl)propyl]-8-methoxypurin-6-amine
CID 58291008
N-butyl-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 54806845

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-9-[3-(oxolan-2-ylmethylamino)propyl]-2-[(2S)-pentan-2-yl]oxypurin-6-amine?
The IUPAC name of 8-methoxy-9-[3-(oxolan-2-ylmethylamino)propyl]-2-[(2S)-pentan-2-yl]oxypurin-6-amine (CID 67211502) is 8-methoxy-9-[3-(oxolan-2-ylmethylamino)propyl]-2-[(2S)-pentan-2-yl]oxypurin-6-amine.
What is the SMILES notation for 8-methoxy-9-[3-(oxolan-2-ylmethylamino)propyl]-2-[(2S)-pentan-2-yl]oxypurin-6-amine?
The canonical SMILES for 8-methoxy-9-[3-(oxolan-2-ylmethylamino)propyl]-2-[(2S)-pentan-2-yl]oxypurin-6-amine is CCC[C@H](C)Oc1nc(N)c2nc(OC)n(CCCNCC3CCCO3)c2n1.
What is the InChIKey of 8-methoxy-9-[3-(oxolan-2-ylmethylamino)propyl]-2-[(2S)-pentan-2-yl]oxypurin-6-amine?
The InChIKey is RJMLWJUJDUHXQH-LSLKUGRBSA-N. The full InChI is InChI=1S/C19H32N6O3/c1-4-7-13(2)28-18-23-16(20)15-17(24-18)25(19(22-15)26-3)10-6-9-21-12-14-8-5-11-27-14/h13-14,21H,4-12H2,1-3H3,(H2,20,23,24)/t13-,14?/m0/s1.
What are the key properties of 8-methoxy-9-[3-(oxolan-2-ylmethylamino)propyl]-2-[(2S)-pentan-2-yl]oxypurin-6-amine?
8-methoxy-9-[3-(oxolan-2-ylmethylamino)propyl]-2-[(2S)-pentan-2-yl]oxypurin-6-amine has a molecular weight of 392.50 g/mol, XLogP of 2.14, 11 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-9-[3-(oxolan-2-ylmethylamino)propyl]-2-[(2S)-pentan-2-yl]oxypurin-6-amine is sourced from PubChem (CID 67211502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).