6-propan-2-yloxy-N-propyl-7H-purin-2-amine

C11H17N5O — CID 114786891

IUPAC6-propan-2-yloxy-N-propyl-7H-purin-2-amine
SMILESCCCNc1nc(OC(C)C)c2[nH]cnc2n1
InChIInChI=1S/C11H17N5O/c1-4-5-12-11-15-9-8(13-6-14-9)10(16-11)17-7(2)3/h6-7H,4-5H2,1-3H3,(H2,12,13,14,15,16)
InChIKeyFPXIBYBFYBZEIR-UHFFFAOYSA-N
MW235.29 g/mol
LogP1.96
Rot. Bonds5

About 6-propan-2-yloxy-N-propyl-7H-purin-2-amine

6-propan-2-yloxy-N-propyl-7H-purin-2-amine (PubChem CID 114786891) has the molecular formula C11H17N5O and a molecular weight of 235.29 g/mol. Its IUPAC name is 6-propan-2-yloxy-N-propyl-7H-purin-2-amine.

Molecular Properties

Compound Name6-propan-2-yloxy-N-propyl-7H-purin-2-amine
PubChem CID114786891
Molecular FormulaC11H17N5O
Molecular Weight235.29 g/mol
Exact Mass235.14
IUPAC Name6-propan-2-yloxy-N-propyl-7H-purin-2-amine
SMILESCCCNc1nc(OC(C)C)c2[nH]cnc2n1
InChIInChI=1S/C11H17N5O/c1-4-5-12-11-15-9-8(13-6-14-9)10(16-11)17-7(2)3/h6-7H,4-5H2,1-3H3,(H2,12,13,14,15,16)
InChIKeyFPXIBYBFYBZEIR-UHFFFAOYSA-N
XLogP1.96
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-N,6-N-dipropyl-7H-purine-2,6-diamine
CID 114783634
6-(2-cyclopropylethoxy)-N-propyl-7H-purin-2-amine
CID 106207536
2-ethyl-6-propan-2-yloxy-7H-purine
CID 123998752
6-N-(2-methylpropyl)-6-N-propan-2-yl-2-N-propyl-7H-purine-2,6-diamine
CID 114784631
1-[[2-(propylamino)-7H-purin-6-yl]amino]propan-2-ol
CID 114783868
6-(oxan-4-ylmethoxy)-N-propyl-7H-purin-2-amine
CID 114787653
6-N-(2-methoxyethyl)-2-N-propyl-7H-purine-2,6-diamine
CID 114783641
6-N-ethyl-6-N-(1-methoxypropan-2-yl)-2-N-propyl-7H-purine-2,6-diamine
CID 114784714
6-N-(2,2-dimethylpropyl)-2-N-propyl-7H-purine-2,6-diamine
CID 114784070
6-N-(2-methylbutan-2-yl)-2-N-propyl-7H-purine-2,6-diamine
CID 114783401
N-ethyl-6-(4-methylpentoxy)-7H-purin-2-amine
CID 114786807
6-N-methyl-6-N-(2-methylbutyl)-2-N-propyl-7H-purine-2,6-diamine
CID 114783815

Frequently Asked Questions

What is the IUPAC name of 6-propan-2-yloxy-N-propyl-7H-purin-2-amine?
The IUPAC name of 6-propan-2-yloxy-N-propyl-7H-purin-2-amine (CID 114786891) is 6-propan-2-yloxy-N-propyl-7H-purin-2-amine.
What is the SMILES notation for 6-propan-2-yloxy-N-propyl-7H-purin-2-amine?
The canonical SMILES for 6-propan-2-yloxy-N-propyl-7H-purin-2-amine is CCCNc1nc(OC(C)C)c2[nH]cnc2n1.
What is the InChIKey of 6-propan-2-yloxy-N-propyl-7H-purin-2-amine?
The InChIKey is FPXIBYBFYBZEIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O/c1-4-5-12-11-15-9-8(13-6-14-9)10(16-11)17-7(2)3/h6-7H,4-5H2,1-3H3,(H2,12,13,14,15,16).
What are the key properties of 6-propan-2-yloxy-N-propyl-7H-purin-2-amine?
6-propan-2-yloxy-N-propyl-7H-purin-2-amine has a molecular weight of 235.29 g/mol, XLogP of 1.96, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propan-2-yloxy-N-propyl-7H-purin-2-amine is sourced from PubChem (CID 114786891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).