N-(1-methoxyhexan-2-yl)-7H-purin-6-amine

C12H19N5O — CID 133311736

IUPACN-(1-methoxyhexan-2-yl)-7H-purin-6-amine
SMILESCCCCC(COC)Nc1ncnc2nc[nH]c12
InChIInChI=1S/C12H19N5O/c1-3-4-5-9(6-18-2)17-12-10-11(14-7-13-10)15-8-16-12/h7-9H,3-6H2,1-2H3,(H2,13,14,15,16,17)
InChIKeyFIFSDAWZGOFOBE-UHFFFAOYSA-N
MW249.32 g/mol
LogP1.97
Rot. Bonds7

About N-(1-methoxyhexan-2-yl)-7H-purin-6-amine

N-(1-methoxyhexan-2-yl)-7H-purin-6-amine (PubChem CID 133311736) has the molecular formula C12H19N5O and a molecular weight of 249.32 g/mol. Its IUPAC name is N-(1-methoxyhexan-2-yl)-7H-purin-6-amine.

Molecular Properties

Compound NameN-(1-methoxyhexan-2-yl)-7H-purin-6-amine
PubChem CID133311736
Molecular FormulaC12H19N5O
Molecular Weight249.32 g/mol
Exact Mass249.16
IUPAC NameN-(1-methoxyhexan-2-yl)-7H-purin-6-amine
SMILESCCCCC(COC)Nc1ncnc2nc[nH]c12
InChIInChI=1S/C12H19N5O/c1-3-4-5-9(6-18-2)17-12-10-11(14-7-13-10)15-8-16-12/h7-9H,3-6H2,1-2H3,(H2,13,14,15,16,17)
InChIKeyFIFSDAWZGOFOBE-UHFFFAOYSA-N
XLogP1.97
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2S)-1-methoxypropan-2-yl]-7H-purin-6-amine
CID 40514758
N-hexan-3-yl-7H-purin-6-amine
CID 62045757
(2S)-2-(7H-purin-6-ylamino)hexanoic acid;hydrochloride
CID 167991552
N-(3-chloro-4-methoxybutyl)-7H-purin-6-amine
CID 106242996
N-(3,4-dimethylheptan-2-yl)-7H-purin-6-amine
CID 123305094
N-butyl-7H-purin-6-amine;ethane
CID 154667457
3-[(2-chloro-7H-purin-6-yl)amino]-4-methoxybutan-1-ol
CID 114152161
1-N,1-N-diethyl-4-N-(7H-purin-6-yl)pentane-1,4-diamine;dihydrochloride
CID 131875514
2-N-ethyl-6-N-(1-methoxybutan-2-yl)-7H-purine-2,6-diamine
CID 114785349
butyl 4-(7H-purin-6-ylamino)benzoate
CID 2155038
ethyl 4-(7H-purin-6-ylamino)pentanoate
CID 133407098
N-(4-methylsulfinylbutan-2-yl)-7H-purin-6-amine
CID 113260882

Frequently Asked Questions

What is the IUPAC name of N-(1-methoxyhexan-2-yl)-7H-purin-6-amine?
The IUPAC name of N-(1-methoxyhexan-2-yl)-7H-purin-6-amine (CID 133311736) is N-(1-methoxyhexan-2-yl)-7H-purin-6-amine.
What is the SMILES notation for N-(1-methoxyhexan-2-yl)-7H-purin-6-amine?
The canonical SMILES for N-(1-methoxyhexan-2-yl)-7H-purin-6-amine is CCCCC(COC)Nc1ncnc2nc[nH]c12.
What is the InChIKey of N-(1-methoxyhexan-2-yl)-7H-purin-6-amine?
The InChIKey is FIFSDAWZGOFOBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O/c1-3-4-5-9(6-18-2)17-12-10-11(14-7-13-10)15-8-16-12/h7-9H,3-6H2,1-2H3,(H2,13,14,15,16,17).
What are the key properties of N-(1-methoxyhexan-2-yl)-7H-purin-6-amine?
N-(1-methoxyhexan-2-yl)-7H-purin-6-amine has a molecular weight of 249.32 g/mol, XLogP of 1.97, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxyhexan-2-yl)-7H-purin-6-amine is sourced from PubChem (CID 133311736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).