9-[(2S)-3-methoxy-2-methylpropyl]purine-2,6-diamine

C10H16N6O — CID 163571544

IUPAC9-[(2S)-3-methoxy-2-methylpropyl]purine-2,6-diamine
SMILESCOC[C@@H](C)Cn1cnc2c(N)nc(N)nc21
InChIInChI=1S/C10H16N6O/c1-6(4-17-2)3-16-5-13-7-8(11)14-10(12)15-9(7)16/h5-6H,3-4H2,1-2H3,(H4,11,12,14,15)/t6-/m0/s1
InChIKeyFZTGTVMJFNOQDT-LURJTMIESA-N
MW236.28 g/mol
LogP0.27
Rot. Bonds4

About 9-[(2S)-3-methoxy-2-methylpropyl]purine-2,6-diamine

9-[(2S)-3-methoxy-2-methylpropyl]purine-2,6-diamine (PubChem CID 163571544) has the molecular formula C10H16N6O and a molecular weight of 236.28 g/mol. Its IUPAC name is 9-[(2S)-3-methoxy-2-methylpropyl]purine-2,6-diamine.

Molecular Properties

Compound Name9-[(2S)-3-methoxy-2-methylpropyl]purine-2,6-diamine
PubChem CID163571544
Molecular FormulaC10H16N6O
Molecular Weight236.28 g/mol
Exact Mass236.14
IUPAC Name9-[(2S)-3-methoxy-2-methylpropyl]purine-2,6-diamine
SMILESCOC[C@@H](C)Cn1cnc2c(N)nc(N)nc21
InChIInChI=1S/C10H16N6O/c1-6(4-17-2)3-16-5-13-7-8(11)14-10(12)15-9(7)16/h5-6H,3-4H2,1-2H3,(H4,11,12,14,15)/t6-/m0/s1
InChIKeyFZTGTVMJFNOQDT-LURJTMIESA-N
XLogP0.27
TPSA104.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.28
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

(2R)-1-(2,6-diaminopurin-9-yl)propan-2-ol
CID 70039769
2-[(2,6-diaminopurin-9-yl)methyl]propane-1,3-diol
CID 15516211
(2R)-1-(2,6-diaminopurin-9-yl)-3-ethoxypropan-2-ol
CID 67450867
9-[(2S)-3-fluoro-2-(phosphanylmethoxy)propyl]purine-2,6-diamine
CID 68817309
9-[3-fluoro-2-(phosphanylmethoxy)propyl]purine-2,6-diamine
CID 67642946
9-propylpurine-2,6-diamine;dihydrochloride
CID 141031131
(2S)-2-[(2,6-diaminopurin-9-yl)methoxy]-2-methoxyethanol
CID 143717485
2-[2-(2,6-diaminopurin-9-yl)ethoxy]ethanol
CID 143078293
9-[(3-propan-2-ylphenyl)methyl]purine-2,6-diamine
CID 154781600
9-(3-methoxy-2-phosphanylpropyl)purin-6-amine
CID 57195073
[(2R)-1-(2,6-diaminopurin-9-yl)-3-methoxypropan-2-yl]oxymethyl-(2-octadecoxyethoxy)phosphinic acid
CID 56676422
[1-(2,6-diaminopurin-9-yl)-3-ethoxypropan-2-yl]oxymethyl-(3-methoxypropoxy)phosphinic acid;[(2R)-1-(2,6-diaminopurin-9-yl)-3-ethoxypropan-2-yl]oxymethyl-(3-methoxypropoxy)phosphinic acid;[(2S)-1-(2,6-diaminopurin-9-yl)-3-ethoxypropan-2-yl]oxymethyl-(3-methoxypropoxy)phosphinic acid;[(2R)-1-(2,6-diaminopurin-9-yl)-3-methoxypropan-2-yl]oxymethyl-(2-methoxyethoxy)phosphinic acid;[(2S)-1-(2,6-diaminopurin-9-yl)-3-methoxypropan-2-yl]oxymethyl-(3-methoxypropoxy)phosphinic acid
CID 159367002

Frequently Asked Questions

What is the IUPAC name of 9-[(2S)-3-methoxy-2-methylpropyl]purine-2,6-diamine?
The IUPAC name of 9-[(2S)-3-methoxy-2-methylpropyl]purine-2,6-diamine (CID 163571544) is 9-[(2S)-3-methoxy-2-methylpropyl]purine-2,6-diamine.
What is the SMILES notation for 9-[(2S)-3-methoxy-2-methylpropyl]purine-2,6-diamine?
The canonical SMILES for 9-[(2S)-3-methoxy-2-methylpropyl]purine-2,6-diamine is COC[C@@H](C)Cn1cnc2c(N)nc(N)nc21.
What is the InChIKey of 9-[(2S)-3-methoxy-2-methylpropyl]purine-2,6-diamine?
The InChIKey is FZTGTVMJFNOQDT-LURJTMIESA-N. The full InChI is InChI=1S/C10H16N6O/c1-6(4-17-2)3-16-5-13-7-8(11)14-10(12)15-9(7)16/h5-6H,3-4H2,1-2H3,(H4,11,12,14,15)/t6-/m0/s1.
What are the key properties of 9-[(2S)-3-methoxy-2-methylpropyl]purine-2,6-diamine?
9-[(2S)-3-methoxy-2-methylpropyl]purine-2,6-diamine has a molecular weight of 236.28 g/mol, XLogP of 0.27, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(2S)-3-methoxy-2-methylpropyl]purine-2,6-diamine is sourced from PubChem (CID 163571544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).