N-[3-(4-methoxyphenyl)propyl]-N-methyl-7H-purin-6-amine

C16H19N5O — CID 133271373

IUPACN-[3-(4-methoxyphenyl)propyl]-N-methyl-7H-purin-6-amine
SMILESCOc1ccc(CCCN(C)c2ncnc3nc[nH]c23)cc1
InChIInChI=1S/C16H19N5O/c1-21(16-14-15(18-10-17-14)19-11-20-16)9-3-4-12-5-7-13(22-2)8-6-12/h5-8,10-11H,3-4,9H2,1-2H3,(H,17,18,19,20)
InChIKeyHYQZHKODCHHAMX-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.43
Rot. Bonds6

About N-[3-(4-methoxyphenyl)propyl]-N-methyl-7H-purin-6-amine

N-[3-(4-methoxyphenyl)propyl]-N-methyl-7H-purin-6-amine (PubChem CID 133271373) has the molecular formula C16H19N5O and a molecular weight of 297.36 g/mol. Its IUPAC name is N-[3-(4-methoxyphenyl)propyl]-N-methyl-7H-purin-6-amine.

Molecular Properties

Compound NameN-[3-(4-methoxyphenyl)propyl]-N-methyl-7H-purin-6-amine
PubChem CID133271373
Molecular FormulaC16H19N5O
Molecular Weight297.36 g/mol
Exact Mass297.16
IUPAC NameN-[3-(4-methoxyphenyl)propyl]-N-methyl-7H-purin-6-amine
SMILESCOc1ccc(CCCN(C)c2ncnc3nc[nH]c23)cc1
InChIInChI=1S/C16H19N5O/c1-21(16-14-15(18-10-17-14)19-11-20-16)9-3-4-12-5-7-13(22-2)8-6-12/h5-8,10-11H,3-4,9H2,1-2H3,(H,17,18,19,20)
InChIKeyHYQZHKODCHHAMX-UHFFFAOYSA-N
XLogP2.43
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-N-methyl-7H-purin-6-amine
CID 39771137
N-(4-chlorobutyl)-N-methyl-7H-purin-6-amine
CID 13285773
N-methyl-N-[2-[4-(1,3-thiazolidin-5-ylmethyl)phenoxy]ethyl]-7H-purin-6-amine
CID 141038307
N-[2-(4-methoxyphenyl)ethyl]-N-methylquinazolin-4-amine
CID 163348860
N-[(3-fluorophenyl)methyl]-N-methyl-7H-purin-6-amine
CID 94145814
3-[3-(4-methoxyphenyl)propyl-methylamino]propanoic acid
CID 19776427
N-benzyl-N-(2-methoxyethyl)-7H-purin-6-amine
CID 86803034
6-[3-(4-fluorophenyl)propyl]-7H-purine
CID 158547626
6-(4-methoxyphenyl)sulfonyl-7H-purine
CID 150051298
3-[methyl-[2-[methyl(7H-purin-6-yl)amino]acetyl]amino]propanoic acid
CID 119362648
N,N-bis(trimethylsilyl)-7H-purin-6-amine
CID 19910051
6-N-[(3-methoxyphenyl)methyl]-6-N-methyl-7H-purine-2,6-diamine
CID 115669342

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-methoxyphenyl)propyl]-N-methyl-7H-purin-6-amine?
The IUPAC name of N-[3-(4-methoxyphenyl)propyl]-N-methyl-7H-purin-6-amine (CID 133271373) is N-[3-(4-methoxyphenyl)propyl]-N-methyl-7H-purin-6-amine.
What is the SMILES notation for N-[3-(4-methoxyphenyl)propyl]-N-methyl-7H-purin-6-amine?
The canonical SMILES for N-[3-(4-methoxyphenyl)propyl]-N-methyl-7H-purin-6-amine is COc1ccc(CCCN(C)c2ncnc3nc[nH]c23)cc1.
What is the InChIKey of N-[3-(4-methoxyphenyl)propyl]-N-methyl-7H-purin-6-amine?
The InChIKey is HYQZHKODCHHAMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O/c1-21(16-14-15(18-10-17-14)19-11-20-16)9-3-4-12-5-7-13(22-2)8-6-12/h5-8,10-11H,3-4,9H2,1-2H3,(H,17,18,19,20).
What are the key properties of N-[3-(4-methoxyphenyl)propyl]-N-methyl-7H-purin-6-amine?
N-[3-(4-methoxyphenyl)propyl]-N-methyl-7H-purin-6-amine has a molecular weight of 297.36 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-methoxyphenyl)propyl]-N-methyl-7H-purin-6-amine is sourced from PubChem (CID 133271373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).