4-(4,6-dimethylpyrimidin-2-yl)-1-(1-methylpyrazol-4-yl)piperazin-2-one

C14H18N6O — CID 71976819

IUPAC4-(4,6-dimethylpyrimidin-2-yl)-1-(1-methylpyrazol-4-yl)piperazin-2-one
SMILESCc1cc(C)nc(N2CCN(c3cnn(C)c3)C(=O)C2)n1
InChIInChI=1S/C14H18N6O/c1-10-6-11(2)17-14(16-10)19-4-5-20(13(21)9-19)12-7-15-18(3)8-12/h6-8H,4-5,9H2,1-3H3
InChIKeyIMIWPZCEBDGDAE-UHFFFAOYSA-N
MW286.34 g/mol
LogP0.68
Rot. Bonds2

About 4-(4,6-dimethylpyrimidin-2-yl)-1-(1-methylpyrazol-4-yl)piperazin-2-one

4-(4,6-dimethylpyrimidin-2-yl)-1-(1-methylpyrazol-4-yl)piperazin-2-one (PubChem CID 71976819) has the molecular formula C14H18N6O and a molecular weight of 286.34 g/mol. Its IUPAC name is 4-(4,6-dimethylpyrimidin-2-yl)-1-(1-methylpyrazol-4-yl)piperazin-2-one.

Molecular Properties

Compound Name4-(4,6-dimethylpyrimidin-2-yl)-1-(1-methylpyrazol-4-yl)piperazin-2-one
PubChem CID71976819
Molecular FormulaC14H18N6O
Molecular Weight286.34 g/mol
Exact Mass286.15
IUPAC Name4-(4,6-dimethylpyrimidin-2-yl)-1-(1-methylpyrazol-4-yl)piperazin-2-one
SMILESCc1cc(C)nc(N2CCN(c3cnn(C)c3)C(=O)C2)n1
InChIInChI=1S/C14H18N6O/c1-10-6-11(2)17-14(16-10)19-4-5-20(13(21)9-19)12-7-15-18(3)8-12/h6-8H,4-5,9H2,1-3H3
InChIKeyIMIWPZCEBDGDAE-UHFFFAOYSA-N
XLogP0.68
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(1-methylpyrazol-4-yl)-4-(2-methyl-4-pyridinyl)piperazin-2-one
CID 133490452
4-[2-(methoxymethyl)-6-methylpyrimidin-4-yl]-1-(1-methylpyrazol-4-yl)piperazin-2-one
CID 133336876
1-(1-methylpyrazol-4-yl)-4-(3-methylquinoxalin-2-yl)piperazin-2-one
CID 133336819
4-[4-(2-fluorophenyl)-5-methylpyrimidin-2-yl]-1-(1-methylpyrazol-4-yl)piperazin-2-one
CID 166183140
4-[4-(1-methylpyrazol-4-yl)-3-oxopiperazin-1-yl]benzonitrile
CID 133336956
4-chloro-2-methyl-5-[4-(1-methylpyrazol-4-yl)-3-oxopiperazin-1-yl]pyridazin-3-one
CID 133336960
5-[4-(1-methylpyrazol-4-yl)-3-oxopiperazin-1-yl]pyrazine-2-carboxylic acid
CID 122054198
1-(1-methylpyrazol-4-yl)-4-(6-methylquinazolin-4-yl)piperazin-2-one
CID 133336905
4-[4-(4-fluorophenoxy)pyrimidin-2-yl]-1-(1-methylpyrazol-4-yl)piperazin-2-one
CID 133336871
5,6-dimethyl-3-[4-(1-methylpyrazol-4-yl)-3-oxopiperazin-1-yl]pyridazine-4-carbonitrile
CID 133336898
4-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)-1-(1-methylpyrazol-4-yl)piperazin-2-one
CID 133336930
4-[4-(1-methylpyrazol-4-yl)-3-oxopiperazin-1-yl]-3-nitrobenzonitrile
CID 71861507

Frequently Asked Questions

What is the IUPAC name of 4-(4,6-dimethylpyrimidin-2-yl)-1-(1-methylpyrazol-4-yl)piperazin-2-one?
The IUPAC name of 4-(4,6-dimethylpyrimidin-2-yl)-1-(1-methylpyrazol-4-yl)piperazin-2-one (CID 71976819) is 4-(4,6-dimethylpyrimidin-2-yl)-1-(1-methylpyrazol-4-yl)piperazin-2-one.
What is the SMILES notation for 4-(4,6-dimethylpyrimidin-2-yl)-1-(1-methylpyrazol-4-yl)piperazin-2-one?
The canonical SMILES for 4-(4,6-dimethylpyrimidin-2-yl)-1-(1-methylpyrazol-4-yl)piperazin-2-one is Cc1cc(C)nc(N2CCN(c3cnn(C)c3)C(=O)C2)n1.
What is the InChIKey of 4-(4,6-dimethylpyrimidin-2-yl)-1-(1-methylpyrazol-4-yl)piperazin-2-one?
The InChIKey is IMIWPZCEBDGDAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6O/c1-10-6-11(2)17-14(16-10)19-4-5-20(13(21)9-19)12-7-15-18(3)8-12/h6-8H,4-5,9H2,1-3H3.
What are the key properties of 4-(4,6-dimethylpyrimidin-2-yl)-1-(1-methylpyrazol-4-yl)piperazin-2-one?
4-(4,6-dimethylpyrimidin-2-yl)-1-(1-methylpyrazol-4-yl)piperazin-2-one has a molecular weight of 286.34 g/mol, XLogP of 0.68, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,6-dimethylpyrimidin-2-yl)-1-(1-methylpyrazol-4-yl)piperazin-2-one is sourced from PubChem (CID 71976819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).