2-(4-methoxy-6-methylpyrimidin-2-yl)-5-methyl-4H-pyrazol-3-one

C10H12N4O2 — CID 131875358

IUPAC2-(4-methoxy-6-methylpyrimidin-2-yl)-5-methyl-4H-pyrazol-3-one
SMILESCOc1cc(C)nc(N2N=C(C)CC2=O)n1
InChIInChI=1S/C10H12N4O2/c1-6-4-8(16-3)12-10(11-6)14-9(15)5-7(2)13-14/h4H,5H2,1-3H3
InChIKeyCCVUJMLNOCWDLF-UHFFFAOYSA-N
MW220.23 g/mol
LogP0.91
Rot. Bonds2

About 2-(4-methoxy-6-methylpyrimidin-2-yl)-5-methyl-4H-pyrazol-3-one

2-(4-methoxy-6-methylpyrimidin-2-yl)-5-methyl-4H-pyrazol-3-one (PubChem CID 131875358) has the molecular formula C10H12N4O2 and a molecular weight of 220.23 g/mol. Its IUPAC name is 2-(4-methoxy-6-methylpyrimidin-2-yl)-5-methyl-4H-pyrazol-3-one.

Molecular Properties

Compound Name2-(4-methoxy-6-methylpyrimidin-2-yl)-5-methyl-4H-pyrazol-3-one
PubChem CID131875358
Molecular FormulaC10H12N4O2
Molecular Weight220.23 g/mol
Exact Mass220.10
IUPAC Name2-(4-methoxy-6-methylpyrimidin-2-yl)-5-methyl-4H-pyrazol-3-one
SMILESCOc1cc(C)nc(N2N=C(C)CC2=O)n1
InChIInChI=1S/C10H12N4O2/c1-6-4-8(16-3)12-10(11-6)14-9(15)5-7(2)13-14/h4H,5H2,1-3H3
InChIKeyCCVUJMLNOCWDLF-UHFFFAOYSA-N
XLogP0.91
TPSA67.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Epirizole
CID 3242
2,4-Dimethoxy-6-methylpyrimidine
CID 269820
4-Methoxy-6-methylpyrimidin-2-amine
CID 587236
3-(4-methoxy-6-methylpyrimidin-2-yl)oxy-1H-pyridazin-6-one
CID 660550
6-[(4-Ethoxy-6-methyl-2-pyrimidinyl)oxy]-3-pyridazinol
CID 891080
2-methyl-6-({4-methyl-6-[(1-methyl-6-oxo-1,6-dihydropyridazin-3-yl)oxy]pyrimidin-2-yl}oxy)pyridazin-3(2H)-one
CID 756053
N-(4-methoxy-6-methylpyrimidin-2-yl)-N-methylacetamide
CID 911086
6-((4-methoxy-6-methylpyrimidin-2-yl)oxy)-2-methylpyridazin-3(2H)-one
CID 659885
Pyrimidine, 4-methoxy-6-(5-methoxy-3-methylpyrazol-1-yl)-2-methyl-
CID 211219
methyl N-[4-(fluoromethyl)-6-methoxypyrimidin-2-yl]carbamate
CID 14774754
[4-(Difluoromethoxy)-6-methylpyrimidin-2-yl]urea
CID 153734167
Methyl 2-(4-methoxy-6-methylpyrimidin-2-yl)acetate
CID 12366559

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-6-methylpyrimidin-2-yl)-5-methyl-4H-pyrazol-3-one?
The IUPAC name of 2-(4-methoxy-6-methylpyrimidin-2-yl)-5-methyl-4H-pyrazol-3-one (CID 131875358) is 2-(4-methoxy-6-methylpyrimidin-2-yl)-5-methyl-4H-pyrazol-3-one.
What is the SMILES notation for 2-(4-methoxy-6-methylpyrimidin-2-yl)-5-methyl-4H-pyrazol-3-one?
The canonical SMILES for 2-(4-methoxy-6-methylpyrimidin-2-yl)-5-methyl-4H-pyrazol-3-one is COc1cc(C)nc(N2N=C(C)CC2=O)n1.
What is the InChIKey of 2-(4-methoxy-6-methylpyrimidin-2-yl)-5-methyl-4H-pyrazol-3-one?
The InChIKey is CCVUJMLNOCWDLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O2/c1-6-4-8(16-3)12-10(11-6)14-9(15)5-7(2)13-14/h4H,5H2,1-3H3.
What are the key properties of 2-(4-methoxy-6-methylpyrimidin-2-yl)-5-methyl-4H-pyrazol-3-one?
2-(4-methoxy-6-methylpyrimidin-2-yl)-5-methyl-4H-pyrazol-3-one has a molecular weight of 220.23 g/mol, XLogP of 0.91, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-6-methylpyrimidin-2-yl)-5-methyl-4H-pyrazol-3-one is sourced from PubChem (CID 131875358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).