2-(4,6-dimethylpyrimidin-2-yl)-4-[[2-(4,6-dimethylpyrimidin-2-yl)-5-methyl-3-oxo-1H-pyrazol-4-yl]methyl]-5-methyl-1H-pyrazol-3-one

C21H24N8O2 — CID 136664370

IUPAC2-(4,6-dimethylpyrimidin-2-yl)-4-[[2-(4,6-dimethylpyrimidin-2-yl)-5-methyl-3-oxo-1H-pyrazol-4-yl]methyl]-5-methyl-1H-pyrazol-3-one
SMILESCc1cc(C)nc(-n2[nH]c(C)c(Cc3c(C)[nH]n(-c4nc(C)cc(C)n4)c3=O)c2=O)n1
InChIInChI=1S/C21H24N8O2/c1-10-7-11(2)23-20(22-10)28-18(30)16(14(5)26-28)9-17-15(6)27-29(19(17)31)21-24-12(3)8-13(4)25-21/h7-8,26-27H,9H2,1-6H3
InChIKeyNRDDNLPIEVRTLT-UHFFFAOYSA-N
MW420.48 g/mol
LogP1.67
Rot. Bonds4

About 2-(4,6-dimethylpyrimidin-2-yl)-4-[[2-(4,6-dimethylpyrimidin-2-yl)-5-methyl-3-oxo-1H-pyrazol-4-yl]methyl]-5-methyl-1H-pyrazol-3-one

2-(4,6-dimethylpyrimidin-2-yl)-4-[[2-(4,6-dimethylpyrimidin-2-yl)-5-methyl-3-oxo-1H-pyrazol-4-yl]methyl]-5-methyl-1H-pyrazol-3-one (PubChem CID 136664370) has the molecular formula C21H24N8O2 and a molecular weight of 420.48 g/mol. Its IUPAC name is 2-(4,6-dimethylpyrimidin-2-yl)-4-[[2-(4,6-dimethylpyrimidin-2-yl)-5-methyl-3-oxo-1H-pyrazol-4-yl]methyl]-5-methyl-1H-pyrazol-3-one.

Molecular Properties

Compound Name2-(4,6-dimethylpyrimidin-2-yl)-4-[[2-(4,6-dimethylpyrimidin-2-yl)-5-methyl-3-oxo-1H-pyrazol-4-yl]methyl]-5-methyl-1H-pyrazol-3-one
PubChem CID136664370
Molecular FormulaC21H24N8O2
Molecular Weight420.48 g/mol
Exact Mass420.20
IUPAC Name2-(4,6-dimethylpyrimidin-2-yl)-4-[[2-(4,6-dimethylpyrimidin-2-yl)-5-methyl-3-oxo-1H-pyrazol-4-yl]methyl]-5-methyl-1H-pyrazol-3-one
SMILESCc1cc(C)nc(-n2[nH]c(C)c(Cc3c(C)[nH]n(-c4nc(C)cc(C)n4)c3=O)c2=O)n1
InChIInChI=1S/C21H24N8O2/c1-10-7-11(2)23-20(22-10)28-18(30)16(14(5)26-28)9-17-15(6)27-29(19(17)31)21-24-12(3)8-13(4)25-21/h7-8,26-27H,9H2,1-6H3
InChIKeyNRDDNLPIEVRTLT-UHFFFAOYSA-N
XLogP1.67
TPSA127.14 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.48
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-(4,6-dimethylpyrimidin-2-yl)-4-[[2-(4,6-dimethylpyrimidin-2-yl)-5-methyl-3-oxo-1H-pyrazol-4-yl]methyl]-5-methyl-1H-pyrazol-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dimethylpyrimidin-2-yl)-4-[[2-(4,6-dimethylpyrimidin-2-yl)-5-methyl-3-oxo-1H-pyrazol-4-yl]methyl]-5-methyl-1H-pyrazol-3-one?
The IUPAC name of 2-(4,6-dimethylpyrimidin-2-yl)-4-[[2-(4,6-dimethylpyrimidin-2-yl)-5-methyl-3-oxo-1H-pyrazol-4-yl]methyl]-5-methyl-1H-pyrazol-3-one (CID 136664370) is 2-(4,6-dimethylpyrimidin-2-yl)-4-[[2-(4,6-dimethylpyrimidin-2-yl)-5-methyl-3-oxo-1H-pyrazol-4-yl]methyl]-5-methyl-1H-pyrazol-3-one.
What is the SMILES notation for 2-(4,6-dimethylpyrimidin-2-yl)-4-[[2-(4,6-dimethylpyrimidin-2-yl)-5-methyl-3-oxo-1H-pyrazol-4-yl]methyl]-5-methyl-1H-pyrazol-3-one?
The canonical SMILES for 2-(4,6-dimethylpyrimidin-2-yl)-4-[[2-(4,6-dimethylpyrimidin-2-yl)-5-methyl-3-oxo-1H-pyrazol-4-yl]methyl]-5-methyl-1H-pyrazol-3-one is Cc1cc(C)nc(-n2[nH]c(C)c(Cc3c(C)[nH]n(-c4nc(C)cc(C)n4)c3=O)c2=O)n1.
What is the InChIKey of 2-(4,6-dimethylpyrimidin-2-yl)-4-[[2-(4,6-dimethylpyrimidin-2-yl)-5-methyl-3-oxo-1H-pyrazol-4-yl]methyl]-5-methyl-1H-pyrazol-3-one?
The InChIKey is NRDDNLPIEVRTLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N8O2/c1-10-7-11(2)23-20(22-10)28-18(30)16(14(5)26-28)9-17-15(6)27-29(19(17)31)21-24-12(3)8-13(4)25-21/h7-8,26-27H,9H2,1-6H3.
What are the key properties of 2-(4,6-dimethylpyrimidin-2-yl)-4-[[2-(4,6-dimethylpyrimidin-2-yl)-5-methyl-3-oxo-1H-pyrazol-4-yl]methyl]-5-methyl-1H-pyrazol-3-one?
2-(4,6-dimethylpyrimidin-2-yl)-4-[[2-(4,6-dimethylpyrimidin-2-yl)-5-methyl-3-oxo-1H-pyrazol-4-yl]methyl]-5-methyl-1H-pyrazol-3-one has a molecular weight of 420.48 g/mol, XLogP of 1.67, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dimethylpyrimidin-2-yl)-4-[[2-(4,6-dimethylpyrimidin-2-yl)-5-methyl-3-oxo-1H-pyrazol-4-yl]methyl]-5-methyl-1H-pyrazol-3-one is sourced from PubChem (CID 136664370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).