4-methyl-2-(5-methyl-3-oxo-1H-pyrazol-2-yl)-1H-pyrimidin-6-one

C9H10N4O2 — CID 135464837

IUPAC4-methyl-2-(5-methyl-3-oxo-1H-pyrazol-2-yl)-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(-n2[nH]c(C)cc2=O)n1
InChIInChI=1S/C9H10N4O2/c1-5-3-7(14)11-9(10-5)13-8(15)4-6(2)12-13/h3-4,12H,1-2H3,(H,10,11,14)
InChIKeyZWPLPUGPPROJDJ-UHFFFAOYSA-N
MW206.20 g/mol
LogP-0.13
Rot. Bonds1

About 4-methyl-2-(5-methyl-3-oxo-1H-pyrazol-2-yl)-1H-pyrimidin-6-one

4-methyl-2-(5-methyl-3-oxo-1H-pyrazol-2-yl)-1H-pyrimidin-6-one (PubChem CID 135464837) has the molecular formula C9H10N4O2 and a molecular weight of 206.20 g/mol. Its IUPAC name is 4-methyl-2-(5-methyl-3-oxo-1H-pyrazol-2-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-methyl-2-(5-methyl-3-oxo-1H-pyrazol-2-yl)-1H-pyrimidin-6-one
PubChem CID135464837
Molecular FormulaC9H10N4O2
Molecular Weight206.20 g/mol
Exact Mass206.08
IUPAC Name4-methyl-2-(5-methyl-3-oxo-1H-pyrazol-2-yl)-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(-n2[nH]c(C)cc2=O)n1
InChIInChI=1S/C9H10N4O2/c1-5-3-7(14)11-9(10-5)13-8(15)4-6(2)12-13/h3-4,12H,1-2H3,(H,10,11,14)
InChIKeyZWPLPUGPPROJDJ-UHFFFAOYSA-N
XLogP-0.13
TPSA83.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(5-methyl-3-oxo-1H-pyrazol-2-yl)-1H-pyrimidin-6-one?
The IUPAC name of 4-methyl-2-(5-methyl-3-oxo-1H-pyrazol-2-yl)-1H-pyrimidin-6-one (CID 135464837) is 4-methyl-2-(5-methyl-3-oxo-1H-pyrazol-2-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-methyl-2-(5-methyl-3-oxo-1H-pyrazol-2-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-methyl-2-(5-methyl-3-oxo-1H-pyrazol-2-yl)-1H-pyrimidin-6-one is Cc1cc(=O)[nH]c(-n2[nH]c(C)cc2=O)n1.
What is the InChIKey of 4-methyl-2-(5-methyl-3-oxo-1H-pyrazol-2-yl)-1H-pyrimidin-6-one?
The InChIKey is ZWPLPUGPPROJDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O2/c1-5-3-7(14)11-9(10-5)13-8(15)4-6(2)12-13/h3-4,12H,1-2H3,(H,10,11,14).
What are the key properties of 4-methyl-2-(5-methyl-3-oxo-1H-pyrazol-2-yl)-1H-pyrimidin-6-one?
4-methyl-2-(5-methyl-3-oxo-1H-pyrazol-2-yl)-1H-pyrimidin-6-one has a molecular weight of 206.20 g/mol, XLogP of -0.13, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(5-methyl-3-oxo-1H-pyrazol-2-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 135464837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).