2-(3,5-dimethylpyrazol-1-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-amine

C12H12N6S — CID 24823594

IUPAC2-(3,5-dimethylpyrazol-1-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-amine
SMILESCc1cc(C)n(-c2nc(N)cc(-c3nccs3)n2)n1
InChIInChI=1S/C12H12N6S/c1-7-5-8(2)18(17-7)12-15-9(6-10(13)16-12)11-14-3-4-19-11/h3-6H,1-2H3,(H2,13,15,16)
InChIKeyXELTWAVGZBUQSB-UHFFFAOYSA-N
MW272.34 g/mol
LogP1.98
Rot. Bonds2

About 2-(3,5-dimethylpyrazol-1-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-amine

2-(3,5-dimethylpyrazol-1-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-amine (PubChem CID 24823594) has the molecular formula C12H12N6S and a molecular weight of 272.34 g/mol. Its IUPAC name is 2-(3,5-dimethylpyrazol-1-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-(3,5-dimethylpyrazol-1-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-amine
PubChem CID24823594
Molecular FormulaC12H12N6S
Molecular Weight272.34 g/mol
Exact Mass272.08
IUPAC Name2-(3,5-dimethylpyrazol-1-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-amine
SMILESCc1cc(C)n(-c2nc(N)cc(-c3nccs3)n2)n1
InChIInChI=1S/C12H12N6S/c1-7-5-8(2)18(17-7)12-15-9(6-10(13)16-12)11-14-3-4-19-11/h3-6H,1-2H3,(H2,13,15,16)
InChIKeyXELTWAVGZBUQSB-UHFFFAOYSA-N
XLogP1.98
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(1,3-thiazol-2-yl)pyrimidin-4-yl]-2-(4-methylpiperazin-1-yl)acetamide
CID 24768413
N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]-2-(4-methylpiperazin-1-yl)acetamide
CID 24768407
2-[7-(5,7-Dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)imidazo[1,2-a]pyrimidin-2-yl]-1,3-thiazole
CID 129051755
5,7-dimethyl-N-(1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 2468986
3-(3,5-Dimethyl-pyrazol-1-yl)-6-isopropylmercaptoimidazo[1,2-b][1,2,4,5]-tetrazine
CID 135398218
2-[2-Butylsulfinyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-5-yl]-1,3-thiazole
CID 135300264
2-[2-Cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-5-yl]-1,3-thiazole
CID 2823381
2-{[4-(1,3-Thiazol-2-yl)-1-piperazinyl]methyl}-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
CID 56917819
N-[2-(3,5-dimethylpyrazol-1-yl)-6-pyrazol-1-ylpyrimidin-4-yl]-1,3-thiazol-2-amine
CID 72945513
N-[7-(1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]acetamide
CID 171351546
2-[2-Butylsulfinyl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]-1,3-thiazole
CID 135300265
5-ethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 70711262

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-amine?
The IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-amine (CID 24823594) is 2-(3,5-dimethylpyrazol-1-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-amine.
What is the SMILES notation for 2-(3,5-dimethylpyrazol-1-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-amine?
The canonical SMILES for 2-(3,5-dimethylpyrazol-1-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-amine is Cc1cc(C)n(-c2nc(N)cc(-c3nccs3)n2)n1.
What is the InChIKey of 2-(3,5-dimethylpyrazol-1-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-amine?
The InChIKey is XELTWAVGZBUQSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N6S/c1-7-5-8(2)18(17-7)12-15-9(6-10(13)16-12)11-14-3-4-19-11/h3-6H,1-2H3,(H2,13,15,16).
What are the key properties of 2-(3,5-dimethylpyrazol-1-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-amine?
2-(3,5-dimethylpyrazol-1-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-amine has a molecular weight of 272.34 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpyrazol-1-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-amine is sourced from PubChem (CID 24823594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).