3-methyl-5-[(2-methylpyrimidin-4-yl)methyl]-[1,2]thiazolo[5,4-d]pyrimidin-4-one

C12H11N5OS — CID 166298138

IUPAC3-methyl-5-[(2-methylpyrimidin-4-yl)methyl]-[1,2]thiazolo[5,4-d]pyrimidin-4-one
SMILESCc1nccc(Cn2cnc3snc(C)c3c2=O)n1
InChIInChI=1S/C12H11N5OS/c1-7-10-11(19-16-7)14-6-17(12(10)18)5-9-3-4-13-8(2)15-9/h3-4,6H,5H2,1-2H3
InChIKeyYJFPOCMRUZRJKX-UHFFFAOYSA-N
MW273.32 g/mol
LogP1.31
Rot. Bonds2

About 3-methyl-5-[(2-methylpyrimidin-4-yl)methyl]-[1,2]thiazolo[5,4-d]pyrimidin-4-one

3-methyl-5-[(2-methylpyrimidin-4-yl)methyl]-[1,2]thiazolo[5,4-d]pyrimidin-4-one (PubChem CID 166298138) has the molecular formula C12H11N5OS and a molecular weight of 273.32 g/mol. Its IUPAC name is 3-methyl-5-[(2-methylpyrimidin-4-yl)methyl]-[1,2]thiazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-methyl-5-[(2-methylpyrimidin-4-yl)methyl]-[1,2]thiazolo[5,4-d]pyrimidin-4-one
PubChem CID166298138
Molecular FormulaC12H11N5OS
Molecular Weight273.32 g/mol
Exact Mass273.07
IUPAC Name3-methyl-5-[(2-methylpyrimidin-4-yl)methyl]-[1,2]thiazolo[5,4-d]pyrimidin-4-one
SMILESCc1nccc(Cn2cnc3snc(C)c3c2=O)n1
InChIInChI=1S/C12H11N5OS/c1-7-10-11(19-16-7)14-6-17(12(10)18)5-9-3-4-13-8(2)15-9/h3-4,6H,5H2,1-2H3
InChIKeyYJFPOCMRUZRJKX-UHFFFAOYSA-N
XLogP1.31
TPSA73.56 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.32
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-methyl-5-[(1-propan-2-ylpyrazol-3-yl)methyl]-[1,2]thiazolo[5,4-d]pyrimidin-4-one
CID 136542696
3-methyl-5-[(4-methyl-1,3-thiazol-5-yl)methyl]-[1,2]thiazolo[5,4-d]pyrimidin-4-one
CID 139013406
3-methyl-5-[[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]methyl]-[1,2]thiazolo[5,4-d]pyrimidin-4-one
CID 166241492
3-methyl-5-[(4-propan-2-ylphenyl)methyl]-[1,2]thiazolo[5,4-d]pyrimidin-4-one
CID 166235559
5-(2-hydroxyethyl)-3-methyl-[1,2]thiazolo[5,4-d]pyrimidin-4-one
CID 130481752
3-methyl-5-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]-[1,2]thiazolo[5,4-d]pyrimidin-4-one
CID 167950484
5-(3-methyl-4-oxo-[1,2]thiazolo[5,4-d]pyrimidin-5-yl)pentanoic acid
CID 114203132
3-[(2-methylpyrimidin-4-yl)methyl]imidazole-4-carbaldehyde
CID 66146380
5-[(2S)-3-(2,5-dimethylphenoxy)-2-hydroxypropyl]-3-methyl-[1,2]thiazolo[5,4-d]pyrimidin-4-one
CID 100684487
1-[(2-methylpyrimidin-4-yl)methyl]benzimidazole-4-carboxylic acid
CID 115543397
3-[(4-ethylphenyl)methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one
CID 734927
1-[(2-methylpyrimidin-4-yl)methyl]imidazolidin-2-one
CID 115370501

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[(2-methylpyrimidin-4-yl)methyl]-[1,2]thiazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 3-methyl-5-[(2-methylpyrimidin-4-yl)methyl]-[1,2]thiazolo[5,4-d]pyrimidin-4-one (CID 166298138) is 3-methyl-5-[(2-methylpyrimidin-4-yl)methyl]-[1,2]thiazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 3-methyl-5-[(2-methylpyrimidin-4-yl)methyl]-[1,2]thiazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 3-methyl-5-[(2-methylpyrimidin-4-yl)methyl]-[1,2]thiazolo[5,4-d]pyrimidin-4-one is Cc1nccc(Cn2cnc3snc(C)c3c2=O)n1.
What is the InChIKey of 3-methyl-5-[(2-methylpyrimidin-4-yl)methyl]-[1,2]thiazolo[5,4-d]pyrimidin-4-one?
The InChIKey is YJFPOCMRUZRJKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5OS/c1-7-10-11(19-16-7)14-6-17(12(10)18)5-9-3-4-13-8(2)15-9/h3-4,6H,5H2,1-2H3.
What are the key properties of 3-methyl-5-[(2-methylpyrimidin-4-yl)methyl]-[1,2]thiazolo[5,4-d]pyrimidin-4-one?
3-methyl-5-[(2-methylpyrimidin-4-yl)methyl]-[1,2]thiazolo[5,4-d]pyrimidin-4-one has a molecular weight of 273.32 g/mol, XLogP of 1.31, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[(2-methylpyrimidin-4-yl)methyl]-[1,2]thiazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 166298138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).