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

C11H9N5OS — CID 136771727

IUPAC4-(1-methylpyrazol-4-yl)-2-(1,3-thiazol-4-yl)-1H-pyrimidin-6-one
SMILESCn1cc(-c2cc(=O)[nH]c(-c3cscn3)n2)cn1
InChIInChI=1S/C11H9N5OS/c1-16-4-7(3-13-16)8-2-10(17)15-11(14-8)9-5-18-6-12-9/h2-6H,1H3,(H,14,15,17)
InChIKeyXVPVNYCLIFOAHS-UHFFFAOYSA-N
MW259.29 g/mol
LogP1.29
Rot. Bonds2

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

4-(1-methylpyrazol-4-yl)-2-(1,3-thiazol-4-yl)-1H-pyrimidin-6-one (PubChem CID 136771727) has the molecular formula C11H9N5OS and a molecular weight of 259.29 g/mol. Its IUPAC name is 4-(1-methylpyrazol-4-yl)-2-(1,3-thiazol-4-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(1-methylpyrazol-4-yl)-2-(1,3-thiazol-4-yl)-1H-pyrimidin-6-one
PubChem CID136771727
Molecular FormulaC11H9N5OS
Molecular Weight259.29 g/mol
Exact Mass259.05
IUPAC Name4-(1-methylpyrazol-4-yl)-2-(1,3-thiazol-4-yl)-1H-pyrimidin-6-one
SMILESCn1cc(-c2cc(=O)[nH]c(-c3cscn3)n2)cn1
InChIInChI=1S/C11H9N5OS/c1-16-4-7(3-13-16)8-2-10(17)15-11(14-8)9-5-18-6-12-9/h2-6H,1H3,(H,14,15,17)
InChIKeyXVPVNYCLIFOAHS-UHFFFAOYSA-N
XLogP1.29
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.29
LogP ≤ 51.29
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-(1,3-thiazol-4-yl)-1H-pyrimidin-6-one?
The IUPAC name of 4-(1-methylpyrazol-4-yl)-2-(1,3-thiazol-4-yl)-1H-pyrimidin-6-one (CID 136771727) is 4-(1-methylpyrazol-4-yl)-2-(1,3-thiazol-4-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(1-methylpyrazol-4-yl)-2-(1,3-thiazol-4-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-(1-methylpyrazol-4-yl)-2-(1,3-thiazol-4-yl)-1H-pyrimidin-6-one is Cn1cc(-c2cc(=O)[nH]c(-c3cscn3)n2)cn1.
What is the InChIKey of 4-(1-methylpyrazol-4-yl)-2-(1,3-thiazol-4-yl)-1H-pyrimidin-6-one?
The InChIKey is XVPVNYCLIFOAHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N5OS/c1-16-4-7(3-13-16)8-2-10(17)15-11(14-8)9-5-18-6-12-9/h2-6H,1H3,(H,14,15,17).
What are the key properties of 4-(1-methylpyrazol-4-yl)-2-(1,3-thiazol-4-yl)-1H-pyrimidin-6-one?
4-(1-methylpyrazol-4-yl)-2-(1,3-thiazol-4-yl)-1H-pyrimidin-6-one has a molecular weight of 259.29 g/mol, XLogP of 1.29, 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-(1,3-thiazol-4-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136771727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).