1-amino-3-[6-(dimethylamino)purin-9-yl]propan-2-ol;hydrochloride

C10H17ClN6O — CID 54600646

IUPAC1-amino-3-[6-(dimethylamino)purin-9-yl]propan-2-ol;hydrochloride
SMILESCN(C)c1ncnc2c1ncn2CC(O)CN.Cl
InChIInChI=1S/C10H16N6O.ClH/c1-15(2)9-8-10(13-5-12-9)16(6-14-8)4-7(17)3-11;/h5-7,17H,3-4,11H2,1-2H3;1H
InChIKeyIPWNLIKWWZRBHA-UHFFFAOYSA-N
MW272.74 g/mol
LogP-0.37
Rot. Bonds4

About 1-amino-3-[6-(dimethylamino)purin-9-yl]propan-2-ol;hydrochloride

1-amino-3-[6-(dimethylamino)purin-9-yl]propan-2-ol;hydrochloride (PubChem CID 54600646) has the molecular formula C10H17ClN6O and a molecular weight of 272.74 g/mol. Its IUPAC name is 1-amino-3-[6-(dimethylamino)purin-9-yl]propan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-amino-3-[6-(dimethylamino)purin-9-yl]propan-2-ol;hydrochloride
PubChem CID54600646
Molecular FormulaC10H17ClN6O
Molecular Weight272.74 g/mol
Exact Mass272.12
IUPAC Name1-amino-3-[6-(dimethylamino)purin-9-yl]propan-2-ol;hydrochloride
SMILESCN(C)c1ncnc2c1ncn2CC(O)CN.Cl
InChIInChI=1S/C10H16N6O.ClH/c1-15(2)9-8-10(13-5-12-9)16(6-14-8)4-7(17)3-11;/h5-7,17H,3-4,11H2,1-2H3;1H
InChIKeyIPWNLIKWWZRBHA-UHFFFAOYSA-N
XLogP-0.37
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.74
LogP ≤ 5-0.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-[6-(dimethylamino)purin-9-yl]-2-hydroxypropanoic acid
CID 11230471
disodium;1-[6-(dimethylamino)purin-9-yl]-3-(phosphonatomethoxy)propan-2-ol
CID 11314841
(2S)-3-[6-[methyl(2-methylpentyl)amino]purin-9-yl]propane-1,2-diol
CID 166322354
5-[6-(dimethylamino)purin-9-yl]pent-3-yn-1-ol
CID 18687077
[(1S,3R)-3-[[6-(dimethylamino)purin-9-yl]methyl]cyclopentyl]methanol
CID 57270357
(2R,3R)-4-[6-(diethylamino)purin-9-yl]-2,3-dihydroxybutanoic acid
CID 154099172
N,N-dimethyl-9-[(2-methylphenyl)methyl]purin-6-amine
CID 14022452
2-[6-(dimethylamino)purin-9-yl]-N-(2,2-dimethylpropyl)acetamide
CID 146108059
[1-azido-3-[6-(dimethylamino)purin-9-yl]propan-2-yl] benzoate
CID 13123569
(2S)-1-amino-3-(4,5-dimethylimidazol-1-yl)propan-2-ol
CID 94410818
9-[3-(4-ethylpiperazin-1-yl)propyl]-N,N-dimethylpurin-6-amine
CID 155552908
9-(3-fluoro-3-methoxy-2-phosphanylpropyl)purin-6-amine
CID 68636068

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-[6-(dimethylamino)purin-9-yl]propan-2-ol;hydrochloride?
The IUPAC name of 1-amino-3-[6-(dimethylamino)purin-9-yl]propan-2-ol;hydrochloride (CID 54600646) is 1-amino-3-[6-(dimethylamino)purin-9-yl]propan-2-ol;hydrochloride.
What is the SMILES notation for 1-amino-3-[6-(dimethylamino)purin-9-yl]propan-2-ol;hydrochloride?
The canonical SMILES for 1-amino-3-[6-(dimethylamino)purin-9-yl]propan-2-ol;hydrochloride is CN(C)c1ncnc2c1ncn2CC(O)CN.Cl.
What is the InChIKey of 1-amino-3-[6-(dimethylamino)purin-9-yl]propan-2-ol;hydrochloride?
The InChIKey is IPWNLIKWWZRBHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N6O.ClH/c1-15(2)9-8-10(13-5-12-9)16(6-14-8)4-7(17)3-11;/h5-7,17H,3-4,11H2,1-2H3;1H.
What are the key properties of 1-amino-3-[6-(dimethylamino)purin-9-yl]propan-2-ol;hydrochloride?
1-amino-3-[6-(dimethylamino)purin-9-yl]propan-2-ol;hydrochloride has a molecular weight of 272.74 g/mol, XLogP of -0.37, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-[6-(dimethylamino)purin-9-yl]propan-2-ol;hydrochloride is sourced from PubChem (CID 54600646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).