4-(1,3-dimethylpyrazol-4-yl)-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-1H-pyrimidin-6-one

C13H10F3N5OS — CID 136505397

IUPAC4-(1,3-dimethylpyrazol-4-yl)-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-1H-pyrimidin-6-one
SMILESCc1nn(C)cc1-c1cc(=O)[nH]c(-c2nc(C(F)(F)F)cs2)n1
InChIInChI=1S/C13H10F3N5OS/c1-6-7(4-21(2)20-6)8-3-10(22)19-11(17-8)12-18-9(5-23-12)13(14,15)16/h3-5H,1-2H3,(H,17,19,22)
InChIKeyJMYOCUNLFXOXQB-UHFFFAOYSA-N
MW341.32 g/mol
LogP2.62
Rot. Bonds2

About 4-(1,3-dimethylpyrazol-4-yl)-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-1H-pyrimidin-6-one

4-(1,3-dimethylpyrazol-4-yl)-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-1H-pyrimidin-6-one (PubChem CID 136505397) has the molecular formula C13H10F3N5OS and a molecular weight of 341.32 g/mol. Its IUPAC name is 4-(1,3-dimethylpyrazol-4-yl)-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(1,3-dimethylpyrazol-4-yl)-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-1H-pyrimidin-6-one
PubChem CID136505397
Molecular FormulaC13H10F3N5OS
Molecular Weight341.32 g/mol
Exact Mass341.06
IUPAC Name4-(1,3-dimethylpyrazol-4-yl)-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-1H-pyrimidin-6-one
SMILESCc1nn(C)cc1-c1cc(=O)[nH]c(-c2nc(C(F)(F)F)cs2)n1
InChIInChI=1S/C13H10F3N5OS/c1-6-7(4-21(2)20-6)8-3-10(22)19-11(17-8)12-18-9(5-23-12)13(14,15)16/h3-5H,1-2H3,(H,17,19,22)
InChIKeyJMYOCUNLFXOXQB-UHFFFAOYSA-N
XLogP2.62
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.32
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(1,3-dimethylpyrazol-4-yl)-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-1H-pyrimidin-6-one?
The IUPAC name of 4-(1,3-dimethylpyrazol-4-yl)-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-1H-pyrimidin-6-one (CID 136505397) is 4-(1,3-dimethylpyrazol-4-yl)-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(1,3-dimethylpyrazol-4-yl)-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-(1,3-dimethylpyrazol-4-yl)-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-1H-pyrimidin-6-one is Cc1nn(C)cc1-c1cc(=O)[nH]c(-c2nc(C(F)(F)F)cs2)n1.
What is the InChIKey of 4-(1,3-dimethylpyrazol-4-yl)-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-1H-pyrimidin-6-one?
The InChIKey is JMYOCUNLFXOXQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3N5OS/c1-6-7(4-21(2)20-6)8-3-10(22)19-11(17-8)12-18-9(5-23-12)13(14,15)16/h3-5H,1-2H3,(H,17,19,22).
What are the key properties of 4-(1,3-dimethylpyrazol-4-yl)-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-1H-pyrimidin-6-one?
4-(1,3-dimethylpyrazol-4-yl)-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-1H-pyrimidin-6-one has a molecular weight of 341.32 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-dimethylpyrazol-4-yl)-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136505397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).