5-[6-(dimethylamino)purin-9-yl]pent-3-yn-1-ol

C12H15N5O — CID 18687077

IUPAC5-[6-(dimethylamino)purin-9-yl]pent-3-yn-1-ol
SMILESCN(C)c1ncnc2c1ncn2CC#CCCO
InChIInChI=1S/C12H15N5O/c1-16(2)11-10-12(14-8-13-11)17(9-15-10)6-4-3-5-7-18/h8-9,18H,5-7H2,1-2H3
InChIKeyGLVUOAKDICQQHY-UHFFFAOYSA-N
MW245.29 g/mol
LogP0.28
Rot. Bonds3

About 5-[6-(dimethylamino)purin-9-yl]pent-3-yn-1-ol

5-[6-(dimethylamino)purin-9-yl]pent-3-yn-1-ol (PubChem CID 18687077) has the molecular formula C12H15N5O and a molecular weight of 245.29 g/mol. Its IUPAC name is 5-[6-(dimethylamino)purin-9-yl]pent-3-yn-1-ol.

Molecular Properties

Compound Name5-[6-(dimethylamino)purin-9-yl]pent-3-yn-1-ol
PubChem CID18687077
Molecular FormulaC12H15N5O
Molecular Weight245.29 g/mol
Exact Mass245.13
IUPAC Name5-[6-(dimethylamino)purin-9-yl]pent-3-yn-1-ol
SMILESCN(C)c1ncnc2c1ncn2CC#CCCO
InChIInChI=1S/C12H15N5O/c1-16(2)11-10-12(14-8-13-11)17(9-15-10)6-4-3-5-7-18/h8-9,18H,5-7H2,1-2H3
InChIKeyGLVUOAKDICQQHY-UHFFFAOYSA-N
XLogP0.28
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

3-[6-(dimethylamino)purin-9-yl]-2-hydroxypropanoic acid
CID 11230471
[(1S,3R)-3-[[6-(dimethylamino)purin-9-yl]methyl]cyclopentyl]methanol
CID 57270357
1-amino-3-[6-(dimethylamino)purin-9-yl]propan-2-ol;hydrochloride
CID 54600646
2-[6-(dimethylamino)purin-9-yl]-N-(2,2-dimethylpropyl)acetamide
CID 146108059
N,N-dimethyl-9-[(2-methylphenyl)methyl]purin-6-amine
CID 14022452
9-[(3-methoxy-1,2-thiazol-4-yl)methyl]-N,N-dimethylpurin-6-amine
CID 146144142
9-[3-(4-ethylpiperazin-1-yl)propyl]-N,N-dimethylpurin-6-amine
CID 155552908
(2R,3S,5R)-2-[6-(dimethylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
CID 90084187
9-[(2,2-difluoro-1,3-benzodioxol-4-yl)methyl]-N,N-dimethylpurin-6-amine
CID 136551287
disodium;1-[6-(dimethylamino)purin-9-yl]-3-(phosphonatomethoxy)propan-2-ol
CID 11314841
9-(4-hydroxybut-2-ynyl)-1H-purin-6-one
CID 136676253
(2S)-3-[6-[methyl(2-methylpentyl)amino]purin-9-yl]propane-1,2-diol
CID 166322354

Frequently Asked Questions

What is the IUPAC name of 5-[6-(dimethylamino)purin-9-yl]pent-3-yn-1-ol?
The IUPAC name of 5-[6-(dimethylamino)purin-9-yl]pent-3-yn-1-ol (CID 18687077) is 5-[6-(dimethylamino)purin-9-yl]pent-3-yn-1-ol.
What is the SMILES notation for 5-[6-(dimethylamino)purin-9-yl]pent-3-yn-1-ol?
The canonical SMILES for 5-[6-(dimethylamino)purin-9-yl]pent-3-yn-1-ol is CN(C)c1ncnc2c1ncn2CC#CCCO.
What is the InChIKey of 5-[6-(dimethylamino)purin-9-yl]pent-3-yn-1-ol?
The InChIKey is GLVUOAKDICQQHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O/c1-16(2)11-10-12(14-8-13-11)17(9-15-10)6-4-3-5-7-18/h8-9,18H,5-7H2,1-2H3.
What are the key properties of 5-[6-(dimethylamino)purin-9-yl]pent-3-yn-1-ol?
5-[6-(dimethylamino)purin-9-yl]pent-3-yn-1-ol has a molecular weight of 245.29 g/mol, XLogP of 0.28, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-(dimethylamino)purin-9-yl]pent-3-yn-1-ol is sourced from PubChem (CID 18687077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).