N-methyl-6-(4-propylphenoxy)-7H-purin-2-amine

C15H17N5O — CID 114787620

IUPACN-methyl-6-(4-propylphenoxy)-7H-purin-2-amine
SMILESCCCc1ccc(Oc2nc(NC)nc3nc[nH]c23)cc1
InChIInChI=1S/C15H17N5O/c1-3-4-10-5-7-11(8-6-10)21-14-12-13(18-9-17-12)19-15(16-2)20-14/h5-9H,3-4H2,1-2H3,(H2,16,17,18,19,20)
InChIKeyDGSOCVFPJVDIFK-UHFFFAOYSA-N
MW283.33 g/mol
LogP3.14
Rot. Bonds5

About N-methyl-6-(4-propylphenoxy)-7H-purin-2-amine

N-methyl-6-(4-propylphenoxy)-7H-purin-2-amine (PubChem CID 114787620) has the molecular formula C15H17N5O and a molecular weight of 283.33 g/mol. Its IUPAC name is N-methyl-6-(4-propylphenoxy)-7H-purin-2-amine.

Molecular Properties

Compound NameN-methyl-6-(4-propylphenoxy)-7H-purin-2-amine
PubChem CID114787620
Molecular FormulaC15H17N5O
Molecular Weight283.33 g/mol
Exact Mass283.14
IUPAC NameN-methyl-6-(4-propylphenoxy)-7H-purin-2-amine
SMILESCCCc1ccc(Oc2nc(NC)nc3nc[nH]c23)cc1
InChIInChI=1S/C15H17N5O/c1-3-4-10-5-7-11(8-6-10)21-14-12-13(18-9-17-12)19-15(16-2)20-14/h5-9H,3-4H2,1-2H3,(H2,16,17,18,19,20)
InChIKeyDGSOCVFPJVDIFK-UHFFFAOYSA-N
XLogP3.14
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-6-(1-propylpyrazol-4-yl)oxy-7H-purin-2-amine
CID 114788091
N-methyl-6-(3-phenylpropoxy)-7H-purin-2-amine
CID 114787552
6-(4-bromo-3-fluorophenoxy)-N-methyl-7H-purin-2-amine
CID 114787796
N-ethyl-6-[(6-methyl-3-pyridinyl)oxy]-7H-purin-2-amine
CID 114787606
6-(2-butoxyethoxy)-N-methyl-7H-purin-2-amine
CID 114786789
6-(3,4-difluorophenoxy)-N-ethyl-7H-purin-2-amine
CID 114787415
4-methoxy-N-methyl-6-(4-propylphenoxy)-1,3,5-triazin-2-amine
CID 80878901
6-(2-bromo-4-chlorophenoxy)-N-methyl-7H-purin-2-amine
CID 114787330
N-ethyl-6-(3-fluorophenoxy)-7H-purin-2-amine
CID 114787286
6-(cyclopropylmethoxy)-N-methyl-7H-purin-2-amine
CID 114786939
6-(5-bromo-2-fluorophenoxy)-N-methyl-7H-purin-2-amine
CID 114788112
2-N-ethyl-6-N-[2-(4-methoxyphenyl)ethyl]-7H-purine-2,6-diamine
CID 117085395

Frequently Asked Questions

What is the IUPAC name of N-methyl-6-(4-propylphenoxy)-7H-purin-2-amine?
The IUPAC name of N-methyl-6-(4-propylphenoxy)-7H-purin-2-amine (CID 114787620) is N-methyl-6-(4-propylphenoxy)-7H-purin-2-amine.
What is the SMILES notation for N-methyl-6-(4-propylphenoxy)-7H-purin-2-amine?
The canonical SMILES for N-methyl-6-(4-propylphenoxy)-7H-purin-2-amine is CCCc1ccc(Oc2nc(NC)nc3nc[nH]c23)cc1.
What is the InChIKey of N-methyl-6-(4-propylphenoxy)-7H-purin-2-amine?
The InChIKey is DGSOCVFPJVDIFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O/c1-3-4-10-5-7-11(8-6-10)21-14-12-13(18-9-17-12)19-15(16-2)20-14/h5-9H,3-4H2,1-2H3,(H2,16,17,18,19,20).
What are the key properties of N-methyl-6-(4-propylphenoxy)-7H-purin-2-amine?
N-methyl-6-(4-propylphenoxy)-7H-purin-2-amine has a molecular weight of 283.33 g/mol, XLogP of 3.14, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-(4-propylphenoxy)-7H-purin-2-amine is sourced from PubChem (CID 114787620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).