4-(1-methylpyrazol-4-yl)-2-(4-methyl-1,3-thiazol-2-yl)-1H-pyrimidin-6-one

C12H11N5OS — CID 136771850

IUPAC4-(1-methylpyrazol-4-yl)-2-(4-methyl-1,3-thiazol-2-yl)-1H-pyrimidin-6-one
SMILESCc1csc(-c2nc(-c3cnn(C)c3)cc(=O)[nH]2)n1
InChIInChI=1S/C12H11N5OS/c1-7-6-19-12(14-7)11-15-9(3-10(18)16-11)8-4-13-17(2)5-8/h3-6H,1-2H3,(H,15,16,18)
InChIKeyOEIWVBNTELWKJC-UHFFFAOYSA-N
MW273.32 g/mol
LogP1.60
Rot. Bonds2

About 4-(1-methylpyrazol-4-yl)-2-(4-methyl-1,3-thiazol-2-yl)-1H-pyrimidin-6-one

4-(1-methylpyrazol-4-yl)-2-(4-methyl-1,3-thiazol-2-yl)-1H-pyrimidin-6-one (PubChem CID 136771850) has the molecular formula C12H11N5OS and a molecular weight of 273.32 g/mol. Its IUPAC name is 4-(1-methylpyrazol-4-yl)-2-(4-methyl-1,3-thiazol-2-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(1-methylpyrazol-4-yl)-2-(4-methyl-1,3-thiazol-2-yl)-1H-pyrimidin-6-one
PubChem CID136771850
Molecular FormulaC12H11N5OS
Molecular Weight273.32 g/mol
Exact Mass273.07
IUPAC Name4-(1-methylpyrazol-4-yl)-2-(4-methyl-1,3-thiazol-2-yl)-1H-pyrimidin-6-one
SMILESCc1csc(-c2nc(-c3cnn(C)c3)cc(=O)[nH]2)n1
InChIInChI=1S/C12H11N5OS/c1-7-6-19-12(14-7)11-15-9(3-10(18)16-11)8-4-13-17(2)5-8/h3-6H,1-2H3,(H,15,16,18)
InChIKeyOEIWVBNTELWKJC-UHFFFAOYSA-N
XLogP1.60
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.32
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(1-methylpyrazol-4-yl)-2-(4-methyl-1,3-thiazol-2-yl)-1H-pyrimidin-6-one?
The IUPAC name of 4-(1-methylpyrazol-4-yl)-2-(4-methyl-1,3-thiazol-2-yl)-1H-pyrimidin-6-one (CID 136771850) is 4-(1-methylpyrazol-4-yl)-2-(4-methyl-1,3-thiazol-2-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(1-methylpyrazol-4-yl)-2-(4-methyl-1,3-thiazol-2-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-(1-methylpyrazol-4-yl)-2-(4-methyl-1,3-thiazol-2-yl)-1H-pyrimidin-6-one is Cc1csc(-c2nc(-c3cnn(C)c3)cc(=O)[nH]2)n1.
What is the InChIKey of 4-(1-methylpyrazol-4-yl)-2-(4-methyl-1,3-thiazol-2-yl)-1H-pyrimidin-6-one?
The InChIKey is OEIWVBNTELWKJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5OS/c1-7-6-19-12(14-7)11-15-9(3-10(18)16-11)8-4-13-17(2)5-8/h3-6H,1-2H3,(H,15,16,18).
What are the key properties of 4-(1-methylpyrazol-4-yl)-2-(4-methyl-1,3-thiazol-2-yl)-1H-pyrimidin-6-one?
4-(1-methylpyrazol-4-yl)-2-(4-methyl-1,3-thiazol-2-yl)-1H-pyrimidin-6-one has a molecular weight of 273.32 g/mol, XLogP of 1.60, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylpyrazol-4-yl)-2-(4-methyl-1,3-thiazol-2-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136771850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).