9-[3-(methoxymethyl)cyclobutyl]-6-methylpurin-2-amine

C12H17N5O — CID 158232421

IUPAC9-[3-(methoxymethyl)cyclobutyl]-6-methylpurin-2-amine
SMILESCOCC1CC(n2cnc3c(C)nc(N)nc32)C1
InChIInChI=1S/C12H17N5O/c1-7-10-11(16-12(13)15-7)17(6-14-10)9-3-8(4-9)5-18-2/h6,8-9H,3-5H2,1-2H3,(H2,13,15,16)
InChIKeyGENSORIVUZKZIN-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.31
Rot. Bonds3

About 9-[3-(methoxymethyl)cyclobutyl]-6-methylpurin-2-amine

9-[3-(methoxymethyl)cyclobutyl]-6-methylpurin-2-amine (PubChem CID 158232421) has the molecular formula C12H17N5O and a molecular weight of 247.30 g/mol. Its IUPAC name is 9-[3-(methoxymethyl)cyclobutyl]-6-methylpurin-2-amine.

Molecular Properties

Compound Name9-[3-(methoxymethyl)cyclobutyl]-6-methylpurin-2-amine
PubChem CID158232421
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC Name9-[3-(methoxymethyl)cyclobutyl]-6-methylpurin-2-amine
SMILESCOCC1CC(n2cnc3c(C)nc(N)nc32)C1
InChIInChI=1S/C12H17N5O/c1-7-10-11(16-12(13)15-7)17(6-14-10)9-3-8(4-9)5-18-2/h6,8-9H,3-5H2,1-2H3,(H2,13,15,16)
InChIKeyGENSORIVUZKZIN-UHFFFAOYSA-N
XLogP1.31
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[3-(2-amino-6-methylsulfanylpurin-9-yl)cyclobutyl]methanol
CID 150364719
trans-(1R,2R)-4-(2,6-diaminopurin-9-yl)cyclopentane-1,2-diol
CID 73050804
methyl (2S)-2-[[[3-(2-amino-6-methoxypurin-9-yl)cyclobutyl]methoxy-(4-bromophenoxy)phosphoryl]-methylamino]propanoate
CID 156758297
6-chloro-9-[(2R,3S,5S)-3-fluoro-5-(methoxymethyl)oxolan-2-yl]purin-2-amine
CID 157481139
6-methoxy-9-(3-methylidenecyclobutyl)purin-2-amine
CID 15223646
methyl (2S)-2-[[[3-(2-amino-6-methoxypurin-9-yl)cyclobutyl]methoxy-(2-bromophenoxy)phosphoryl]amino]propanoate
CID 153397084
(2R,5R)-2-(2,6-diaminopurin-9-yl)-4-methoxy-5-(methoxymethyl)oxolan-3-ol
CID 67642663
(4R,5R)-2-(2,6-diaminopurin-9-yl)-4-methoxy-5-(methoxymethyl)oxolan-3-ol
CID 90346189
(2R,5R)-2-(2,6-diaminopurin-9-yl)-5-(methoxymethyl)oxolane-3,4-diol
CID 69050482
[4-(2-amino-6-iodopurin-9-yl)-2-(benzoyloxymethyl)cyclopentyl]methyl benzoate
CID 139922935
4-[2-amino-6-(cyclopropylmethylamino)purin-9-yl]-2-(hydroxymethyl)cyclopentan-1-ol;dihydrochloride
CID 77366835
[(3S)-3-[2-amino-6-(cyclopropylamino)purin-9-yl]cyclopentyl]methanol
CID 156801983

Frequently Asked Questions

What is the IUPAC name of 9-[3-(methoxymethyl)cyclobutyl]-6-methylpurin-2-amine?
The IUPAC name of 9-[3-(methoxymethyl)cyclobutyl]-6-methylpurin-2-amine (CID 158232421) is 9-[3-(methoxymethyl)cyclobutyl]-6-methylpurin-2-amine.
What is the SMILES notation for 9-[3-(methoxymethyl)cyclobutyl]-6-methylpurin-2-amine?
The canonical SMILES for 9-[3-(methoxymethyl)cyclobutyl]-6-methylpurin-2-amine is COCC1CC(n2cnc3c(C)nc(N)nc32)C1.
What is the InChIKey of 9-[3-(methoxymethyl)cyclobutyl]-6-methylpurin-2-amine?
The InChIKey is GENSORIVUZKZIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O/c1-7-10-11(16-12(13)15-7)17(6-14-10)9-3-8(4-9)5-18-2/h6,8-9H,3-5H2,1-2H3,(H2,13,15,16).
What are the key properties of 9-[3-(methoxymethyl)cyclobutyl]-6-methylpurin-2-amine?
9-[3-(methoxymethyl)cyclobutyl]-6-methylpurin-2-amine has a molecular weight of 247.30 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-(methoxymethyl)cyclobutyl]-6-methylpurin-2-amine is sourced from PubChem (CID 158232421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).