6-[(4-butylphenyl)methoxy]-7H-purin-2-amine

C16H19N5O — CID 10085995

IUPAC6-[(4-butylphenyl)methoxy]-7H-purin-2-amine
SMILESCCCCc1ccc(COc2nc(N)nc3nc[nH]c23)cc1
InChIInChI=1S/C16H19N5O/c1-2-3-4-11-5-7-12(8-6-11)9-22-15-13-14(19-10-18-13)20-16(17)21-15/h5-8,10H,2-4,9H2,1H3,(H3,17,18,19,20,21)
InChIKeyHJBCHEKAODJADX-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.86
Rot. Bonds6

About 6-[(4-butylphenyl)methoxy]-7H-purin-2-amine

6-[(4-butylphenyl)methoxy]-7H-purin-2-amine (PubChem CID 10085995) has the molecular formula C16H19N5O and a molecular weight of 297.36 g/mol. Its IUPAC name is 6-[(4-butylphenyl)methoxy]-7H-purin-2-amine.

Molecular Properties

Compound Name6-[(4-butylphenyl)methoxy]-7H-purin-2-amine
PubChem CID10085995
Molecular FormulaC16H19N5O
Molecular Weight297.36 g/mol
Exact Mass297.16
IUPAC Name6-[(4-butylphenyl)methoxy]-7H-purin-2-amine
SMILESCCCCc1ccc(COc2nc(N)nc3nc[nH]c23)cc1
InChIInChI=1S/C16H19N5O/c1-2-3-4-11-5-7-12(8-6-11)9-22-15-13-14(19-10-18-13)20-16(17)21-15/h5-8,10H,2-4,9H2,1H3,(H3,17,18,19,20,21)
InChIKeyHJBCHEKAODJADX-UHFFFAOYSA-N
XLogP2.86
TPSA89.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(Phenylmethoxy)-9H-purin-2-amine
CID 4578
2-Anilino-6-cyclohexylmethoxypurine
CID 1540
6-Benzyloxypurine
CID 853677
7-phenylmethoxy-2H-triazolo[4,5-d]pyrimidin-5-amine
CID 6418797
6-((4-(Aminomethyl)benzyl)oxy)-9H-purin-2-amine
CID 25149605
O6-Substituted Guanine Deriv. 32
CID 5329516
O6-Cyclohexylmethylguanine deriv. 20
CID 5329555
O6-Cyclohexylmethylguanine deriv. 26
CID 5329560
O6-Cyclohexylmethylguanine deriv. 42
CID 5329573
6-[(2~{r})-2-[(2-Methylphenoxy)methyl]pyrrolidin-1-Yl]-7~{h}-Purine
CID 16005070
6-((3-(Aminomethyl)benzyl)oxy)-9H-purin-2-amine
CID 24905366
6-(cyclohexylmethoxy)-N-(3-methoxyphenyl)-9H-purin-2-amine
CID 5329556

Frequently Asked Questions

What is the IUPAC name of 6-[(4-butylphenyl)methoxy]-7H-purin-2-amine?
The IUPAC name of 6-[(4-butylphenyl)methoxy]-7H-purin-2-amine (CID 10085995) is 6-[(4-butylphenyl)methoxy]-7H-purin-2-amine.
What is the SMILES notation for 6-[(4-butylphenyl)methoxy]-7H-purin-2-amine?
The canonical SMILES for 6-[(4-butylphenyl)methoxy]-7H-purin-2-amine is CCCCc1ccc(COc2nc(N)nc3nc[nH]c23)cc1.
What is the InChIKey of 6-[(4-butylphenyl)methoxy]-7H-purin-2-amine?
The InChIKey is HJBCHEKAODJADX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O/c1-2-3-4-11-5-7-12(8-6-11)9-22-15-13-14(19-10-18-13)20-16(17)21-15/h5-8,10H,2-4,9H2,1H3,(H3,17,18,19,20,21).
What are the key properties of 6-[(4-butylphenyl)methoxy]-7H-purin-2-amine?
6-[(4-butylphenyl)methoxy]-7H-purin-2-amine has a molecular weight of 297.36 g/mol, XLogP of 2.86, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-butylphenyl)methoxy]-7H-purin-2-amine is sourced from PubChem (CID 10085995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).