2-butoxy-8-methoxy-9-(piperidin-3-ylmethyl)purin-6-amine

C16H26N6O2 — CID 58306241

IUPAC2-butoxy-8-methoxy-9-(piperidin-3-ylmethyl)purin-6-amine
SMILESCCCCOc1nc(N)c2nc(OC)n(CC3CCCNC3)c2n1
InChIInChI=1S/C16H26N6O2/c1-3-4-8-24-15-20-13(17)12-14(21-15)22(16(19-12)23-2)10-11-6-5-7-18-9-11/h11,18H,3-10H2,1-2H3,(H2,17,20,21)
InChIKeyDRNOTFRUDAZCEY-UHFFFAOYSA-N
MW334.42 g/mol
LogP1.60
Rot. Bonds7

About 2-butoxy-8-methoxy-9-(piperidin-3-ylmethyl)purin-6-amine

2-butoxy-8-methoxy-9-(piperidin-3-ylmethyl)purin-6-amine (PubChem CID 58306241) has the molecular formula C16H26N6O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is 2-butoxy-8-methoxy-9-(piperidin-3-ylmethyl)purin-6-amine.

Molecular Properties

Compound Name2-butoxy-8-methoxy-9-(piperidin-3-ylmethyl)purin-6-amine
PubChem CID58306241
Molecular FormulaC16H26N6O2
Molecular Weight334.42 g/mol
Exact Mass334.21
IUPAC Name2-butoxy-8-methoxy-9-(piperidin-3-ylmethyl)purin-6-amine
SMILESCCCCOc1nc(N)c2nc(OC)n(CC3CCCNC3)c2n1
InChIInChI=1S/C16H26N6O2/c1-3-4-8-24-15-20-13(17)12-14(21-15)22(16(19-12)23-2)10-11-6-5-7-18-9-11/h11,18H,3-10H2,1-2H3,(H2,17,20,21)
InChIKeyDRNOTFRUDAZCEY-UHFFFAOYSA-N
XLogP1.60
TPSA100.11 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

9-(4-bromobutyl)-2-butoxy-8-methoxypurin-6-amine
CID 23158511
2-butoxy-9-[3-(4-ethylpiperazin-1-yl)propyl]-8-methoxypurin-6-amine
CID 58291008
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
3-(6-amino-2-butoxy-8-methoxypurin-9-yl)propyl-tert-butylcarbamic acid
CID 66781348
9-benzyl-8-methoxy-2-pentoxypurin-6-amine
CID 11024299
6-amino-2-butoxy-9-(piperidin-4-ylmethyl)-7H-purin-8-one;hydrochloride
CID 67607123
4-[(6-amino-8-bromo-2-butoxypurin-9-yl)methyl]piperidine-1-carboxylic acid
CID 143428565
2-methoxy-6-methyl-3-(piperidin-3-ylmethyl)pyrimidin-4-one
CID 79367324
2-butoxy-8-methoxy-9-[[4-[2-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]purin-6-amine
CID 58234481
methyl 2-[3-[2-[3-[4-[(6-amino-2-butoxy-8-methoxypurin-9-yl)methyl]piperidin-1-yl]propyl-methylamino]ethoxy]phenyl]acetate
CID 59830216
2-butoxy-8-methoxy-9-[[2-[4-(pyrrolidin-1-ylmethyl)phenyl]-4-pyridinyl]methyl]purin-6-amine
CID 58234612

Frequently Asked Questions

What is the IUPAC name of 2-butoxy-8-methoxy-9-(piperidin-3-ylmethyl)purin-6-amine?
The IUPAC name of 2-butoxy-8-methoxy-9-(piperidin-3-ylmethyl)purin-6-amine (CID 58306241) is 2-butoxy-8-methoxy-9-(piperidin-3-ylmethyl)purin-6-amine.
What is the SMILES notation for 2-butoxy-8-methoxy-9-(piperidin-3-ylmethyl)purin-6-amine?
The canonical SMILES for 2-butoxy-8-methoxy-9-(piperidin-3-ylmethyl)purin-6-amine is CCCCOc1nc(N)c2nc(OC)n(CC3CCCNC3)c2n1.
What is the InChIKey of 2-butoxy-8-methoxy-9-(piperidin-3-ylmethyl)purin-6-amine?
The InChIKey is DRNOTFRUDAZCEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N6O2/c1-3-4-8-24-15-20-13(17)12-14(21-15)22(16(19-12)23-2)10-11-6-5-7-18-9-11/h11,18H,3-10H2,1-2H3,(H2,17,20,21).
What are the key properties of 2-butoxy-8-methoxy-9-(piperidin-3-ylmethyl)purin-6-amine?
2-butoxy-8-methoxy-9-(piperidin-3-ylmethyl)purin-6-amine has a molecular weight of 334.42 g/mol, XLogP of 1.60, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxy-8-methoxy-9-(piperidin-3-ylmethyl)purin-6-amine is sourced from PubChem (CID 58306241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).