4-methyl-2-(3,4,5-trimethylpyrazol-1-yl)-1H-pyrimidin-6-one

C11H14N4O — CID 162662513

IUPAC4-methyl-2-(3,4,5-trimethylpyrazol-1-yl)-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(-n2nc(C)c(C)c2C)n1
InChIInChI=1S/C11H14N4O/c1-6-5-10(16)13-11(12-6)15-9(4)7(2)8(3)14-15/h5H,1-4H3,(H,12,13,16)
InChIKeyGMTMTBXREFRXTA-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.19
Rot. Bonds1

About 4-methyl-2-(3,4,5-trimethylpyrazol-1-yl)-1H-pyrimidin-6-one

4-methyl-2-(3,4,5-trimethylpyrazol-1-yl)-1H-pyrimidin-6-one (PubChem CID 162662513) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is 4-methyl-2-(3,4,5-trimethylpyrazol-1-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-methyl-2-(3,4,5-trimethylpyrazol-1-yl)-1H-pyrimidin-6-one
PubChem CID162662513
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC Name4-methyl-2-(3,4,5-trimethylpyrazol-1-yl)-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(-n2nc(C)c(C)c2C)n1
InChIInChI=1S/C11H14N4O/c1-6-5-10(16)13-11(12-6)15-9(4)7(2)8(3)14-15/h5H,1-4H3,(H,12,13,16)
InChIKeyGMTMTBXREFRXTA-UHFFFAOYSA-N
XLogP1.19
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(3,4,5-trimethylpyrazol-1-yl)-1H-pyrimidin-6-one?
The IUPAC name of 4-methyl-2-(3,4,5-trimethylpyrazol-1-yl)-1H-pyrimidin-6-one (CID 162662513) is 4-methyl-2-(3,4,5-trimethylpyrazol-1-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-methyl-2-(3,4,5-trimethylpyrazol-1-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-methyl-2-(3,4,5-trimethylpyrazol-1-yl)-1H-pyrimidin-6-one is Cc1cc(=O)[nH]c(-n2nc(C)c(C)c2C)n1.
What is the InChIKey of 4-methyl-2-(3,4,5-trimethylpyrazol-1-yl)-1H-pyrimidin-6-one?
The InChIKey is GMTMTBXREFRXTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O/c1-6-5-10(16)13-11(12-6)15-9(4)7(2)8(3)14-15/h5H,1-4H3,(H,12,13,16).
What are the key properties of 4-methyl-2-(3,4,5-trimethylpyrazol-1-yl)-1H-pyrimidin-6-one?
4-methyl-2-(3,4,5-trimethylpyrazol-1-yl)-1H-pyrimidin-6-one has a molecular weight of 218.26 g/mol, XLogP of 1.19, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(3,4,5-trimethylpyrazol-1-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 162662513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).