4-methyl-2-[2-(2-methylpyrazol-3-yl)ethyl]-1H-pyrimidin-6-one

C11H14N4O — CID 136633026

IUPAC4-methyl-2-[2-(2-methylpyrazol-3-yl)ethyl]-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(CCc2ccnn2C)n1
InChIInChI=1S/C11H14N4O/c1-8-7-11(16)14-10(13-8)4-3-9-5-6-12-15(9)2/h5-7H,3-4H2,1-2H3,(H,13,14,16)
InChIKeyXXIWKNLNPHYPPQ-UHFFFAOYSA-N
MW218.26 g/mol
LogP0.60
Rot. Bonds3

About 4-methyl-2-[2-(2-methylpyrazol-3-yl)ethyl]-1H-pyrimidin-6-one

4-methyl-2-[2-(2-methylpyrazol-3-yl)ethyl]-1H-pyrimidin-6-one (PubChem CID 136633026) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is 4-methyl-2-[2-(2-methylpyrazol-3-yl)ethyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-methyl-2-[2-(2-methylpyrazol-3-yl)ethyl]-1H-pyrimidin-6-one
PubChem CID136633026
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC Name4-methyl-2-[2-(2-methylpyrazol-3-yl)ethyl]-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(CCc2ccnn2C)n1
InChIInChI=1S/C11H14N4O/c1-8-7-11(16)14-10(13-8)4-3-9-5-6-12-15(9)2/h5-7H,3-4H2,1-2H3,(H,13,14,16)
InChIKeyXXIWKNLNPHYPPQ-UHFFFAOYSA-N
XLogP0.60
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[2-(2-methylpyrazol-3-yl)ethyl]-1H-pyrimidin-6-one?
The IUPAC name of 4-methyl-2-[2-(2-methylpyrazol-3-yl)ethyl]-1H-pyrimidin-6-one (CID 136633026) is 4-methyl-2-[2-(2-methylpyrazol-3-yl)ethyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-methyl-2-[2-(2-methylpyrazol-3-yl)ethyl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-methyl-2-[2-(2-methylpyrazol-3-yl)ethyl]-1H-pyrimidin-6-one is Cc1cc(=O)[nH]c(CCc2ccnn2C)n1.
What is the InChIKey of 4-methyl-2-[2-(2-methylpyrazol-3-yl)ethyl]-1H-pyrimidin-6-one?
The InChIKey is XXIWKNLNPHYPPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O/c1-8-7-11(16)14-10(13-8)4-3-9-5-6-12-15(9)2/h5-7H,3-4H2,1-2H3,(H,13,14,16).
What are the key properties of 4-methyl-2-[2-(2-methylpyrazol-3-yl)ethyl]-1H-pyrimidin-6-one?
4-methyl-2-[2-(2-methylpyrazol-3-yl)ethyl]-1H-pyrimidin-6-one has a molecular weight of 218.26 g/mol, XLogP of 0.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[2-(2-methylpyrazol-3-yl)ethyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136633026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).