5-methyl-2-[6-(methylamino)pyrimidin-4-yl]-1H-pyrazol-3-one

C9H11N5O — CID 131542184

IUPAC5-methyl-2-[6-(methylamino)pyrimidin-4-yl]-1H-pyrazol-3-one
SMILESCNc1cc(-n2[nH]c(C)cc2=O)ncn1
InChIInChI=1S/C9H11N5O/c1-6-3-9(15)14(13-6)8-4-7(10-2)11-5-12-8/h3-5,13H,1-2H3,(H,10,11,12)
InChIKeyMBDOQNOMWBYOTJ-UHFFFAOYSA-N
MW205.22 g/mol
LogP0.31
Rot. Bonds2

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

5-methyl-2-[6-(methylamino)pyrimidin-4-yl]-1H-pyrazol-3-one (PubChem CID 131542184) has the molecular formula C9H11N5O and a molecular weight of 205.22 g/mol. Its IUPAC name is 5-methyl-2-[6-(methylamino)pyrimidin-4-yl]-1H-pyrazol-3-one.

Molecular Properties

Compound Name5-methyl-2-[6-(methylamino)pyrimidin-4-yl]-1H-pyrazol-3-one
PubChem CID131542184
Molecular FormulaC9H11N5O
Molecular Weight205.22 g/mol
Exact Mass205.10
IUPAC Name5-methyl-2-[6-(methylamino)pyrimidin-4-yl]-1H-pyrazol-3-one
SMILESCNc1cc(-n2[nH]c(C)cc2=O)ncn1
InChIInChI=1S/C9H11N5O/c1-6-3-9(15)14(13-6)8-4-7(10-2)11-5-12-8/h3-5,13H,1-2H3,(H,10,11,12)
InChIKeyMBDOQNOMWBYOTJ-UHFFFAOYSA-N
XLogP0.31
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3,4-dimethyl-1-(pyrimidin-2-yl)-1H-pyrazol-5-ol
CID 66021485
Pyrazol-3-one,2(4,6-ME4pyrimid)5ME
CID 12771917
2-[6-(dimethylamino)pyrimidin-4-yl]-5-(trifluoromethyl)-1H-pyrazol-3-one
CID 139331657
3-amino-N-[6-(dimethylamino)pyrimidin-4-yl]-4,4,4-trifluorobut-2-enamide
CID 173815297
5-(difluoromethyl)-2-(6-methylpyrimidin-4-yl)-1H-pyrazol-3-one
CID 66021097
4-methyl-2-(6-methylpyrimidin-4-yl)-5-(trifluoromethyl)-1H-pyrazol-3-one
CID 66021505
2-(6-methylpyrimidin-4-yl)-5-(trifluoromethyl)-1H-pyrazol-3-one
CID 66021712
2-pyrimidin-4-yl-5-(trifluoromethyl)-1H-pyrazol-3-one
CID 79822554
4-methyl-2-pyrimidin-4-yl-5-(trifluoromethyl)-1H-pyrazol-3-one
CID 79822645
5-(difluoromethyl)-2-pyrimidin-4-yl-1H-pyrazol-3-one
CID 79822736
N-[3-oxo-2-(6-piperidin-1-ylpyrimidin-4-yl)-1H-pyrazol-4-yl]acetamide
CID 71765708
N'-acetyl-N'-[2-(methylamino)pyrimidin-4-yl]acetohydrazide
CID 89881813

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[6-(methylamino)pyrimidin-4-yl]-1H-pyrazol-3-one?
The IUPAC name of 5-methyl-2-[6-(methylamino)pyrimidin-4-yl]-1H-pyrazol-3-one (CID 131542184) is 5-methyl-2-[6-(methylamino)pyrimidin-4-yl]-1H-pyrazol-3-one.
What is the SMILES notation for 5-methyl-2-[6-(methylamino)pyrimidin-4-yl]-1H-pyrazol-3-one?
The canonical SMILES for 5-methyl-2-[6-(methylamino)pyrimidin-4-yl]-1H-pyrazol-3-one is CNc1cc(-n2[nH]c(C)cc2=O)ncn1.
What is the InChIKey of 5-methyl-2-[6-(methylamino)pyrimidin-4-yl]-1H-pyrazol-3-one?
The InChIKey is MBDOQNOMWBYOTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5O/c1-6-3-9(15)14(13-6)8-4-7(10-2)11-5-12-8/h3-5,13H,1-2H3,(H,10,11,12).
What are the key properties of 5-methyl-2-[6-(methylamino)pyrimidin-4-yl]-1H-pyrazol-3-one?
5-methyl-2-[6-(methylamino)pyrimidin-4-yl]-1H-pyrazol-3-one has a molecular weight of 205.22 g/mol, XLogP of 0.31, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[6-(methylamino)pyrimidin-4-yl]-1H-pyrazol-3-one is sourced from PubChem (CID 131542184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).