9-[(3-methoxy-1,2-thiazol-4-yl)methyl]-N,N-dimethylpurin-6-amine

C12H14N6OS — CID 146144142

IUPAC9-[(3-methoxy-1,2-thiazol-4-yl)methyl]-N,N-dimethylpurin-6-amine
SMILESCOc1nscc1Cn1cnc2c(N(C)C)ncnc21
InChIInChI=1S/C12H14N6OS/c1-17(2)10-9-11(14-6-13-10)18(7-15-9)4-8-5-20-16-12(8)19-3/h5-7H,4H2,1-3H3
InChIKeyVTSWCBPAPWHPPK-UHFFFAOYSA-N
MW290.35 g/mol
LogP1.41
Rot. Bonds4

About 9-[(3-methoxy-1,2-thiazol-4-yl)methyl]-N,N-dimethylpurin-6-amine

9-[(3-methoxy-1,2-thiazol-4-yl)methyl]-N,N-dimethylpurin-6-amine (PubChem CID 146144142) has the molecular formula C12H14N6OS and a molecular weight of 290.35 g/mol. Its IUPAC name is 9-[(3-methoxy-1,2-thiazol-4-yl)methyl]-N,N-dimethylpurin-6-amine.

Molecular Properties

Compound Name9-[(3-methoxy-1,2-thiazol-4-yl)methyl]-N,N-dimethylpurin-6-amine
PubChem CID146144142
Molecular FormulaC12H14N6OS
Molecular Weight290.35 g/mol
Exact Mass290.09
IUPAC Name9-[(3-methoxy-1,2-thiazol-4-yl)methyl]-N,N-dimethylpurin-6-amine
SMILESCOc1nscc1Cn1cnc2c(N(C)C)ncnc21
InChIInChI=1S/C12H14N6OS/c1-17(2)10-9-11(14-6-13-10)18(7-15-9)4-8-5-20-16-12(8)19-3/h5-7H,4H2,1-3H3
InChIKeyVTSWCBPAPWHPPK-UHFFFAOYSA-N
XLogP1.41
TPSA68.96 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.35
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

N,N-dimethyl-9-[(2-methylphenyl)methyl]purin-6-amine
CID 14022452
9-[(2,2-difluoro-1,3-benzodioxol-4-yl)methyl]-N,N-dimethylpurin-6-amine
CID 136551287
5-[6-(dimethylamino)purin-9-yl]pent-3-yn-1-ol
CID 18687077
3-[6-(dimethylamino)purin-9-yl]-2-hydroxypropanoic acid
CID 11230471
1-amino-3-[6-(dimethylamino)purin-9-yl]propan-2-ol;hydrochloride
CID 54600646
5-methoxy-3-[(3-methoxy-1,2-thiazol-4-yl)methyl]pyrimidin-4-one
CID 146103910
9-[[10-(methoxymethyl)pyrazino[2,3-b][1,4]benzothiazin-8-yl]methyl]-N,N-dimethylpurin-6-amine
CID 23565005
N-[(3-methoxy-1,2-thiazol-4-yl)methyl]-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine
CID 138008559
[(1S,3R)-3-[[6-(dimethylamino)purin-9-yl]methyl]cyclopentyl]methanol
CID 57270357
9-[3-(4-ethylpiperazin-1-yl)propyl]-N,N-dimethylpurin-6-amine
CID 155552908
2-[6-(dimethylamino)purin-9-yl]-N-(2,2-dimethylpropyl)acetamide
CID 146108059
N,N-dimethyl-9-undecan-4-ylpurin-6-amine
CID 137470783

Frequently Asked Questions

What is the IUPAC name of 9-[(3-methoxy-1,2-thiazol-4-yl)methyl]-N,N-dimethylpurin-6-amine?
The IUPAC name of 9-[(3-methoxy-1,2-thiazol-4-yl)methyl]-N,N-dimethylpurin-6-amine (CID 146144142) is 9-[(3-methoxy-1,2-thiazol-4-yl)methyl]-N,N-dimethylpurin-6-amine.
What is the SMILES notation for 9-[(3-methoxy-1,2-thiazol-4-yl)methyl]-N,N-dimethylpurin-6-amine?
The canonical SMILES for 9-[(3-methoxy-1,2-thiazol-4-yl)methyl]-N,N-dimethylpurin-6-amine is COc1nscc1Cn1cnc2c(N(C)C)ncnc21.
What is the InChIKey of 9-[(3-methoxy-1,2-thiazol-4-yl)methyl]-N,N-dimethylpurin-6-amine?
The InChIKey is VTSWCBPAPWHPPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N6OS/c1-17(2)10-9-11(14-6-13-10)18(7-15-9)4-8-5-20-16-12(8)19-3/h5-7H,4H2,1-3H3.
What are the key properties of 9-[(3-methoxy-1,2-thiazol-4-yl)methyl]-N,N-dimethylpurin-6-amine?
9-[(3-methoxy-1,2-thiazol-4-yl)methyl]-N,N-dimethylpurin-6-amine has a molecular weight of 290.35 g/mol, XLogP of 1.41, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(3-methoxy-1,2-thiazol-4-yl)methyl]-N,N-dimethylpurin-6-amine is sourced from PubChem (CID 146144142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).