2-[[2-[[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]amino]-2-oxoethyl]-methylamino]-N-methylacetamide

C16H23N7O2 — CID 78825412

IUPAC2-[[2-[[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]amino]-2-oxoethyl]-methylamino]-N-methylacetamide
SMILESCNC(=O)CN(C)CC(=O)Nc1cc(C)nn1-c1nc(C)cc(C)n1
InChIInChI=1S/C16H23N7O2/c1-10-6-11(2)19-16(18-10)23-13(7-12(3)21-23)20-15(25)9-22(5)8-14(24)17-4/h6-7H,8-9H2,1-5H3,(H,17,24)(H,20,25)
InChIKeyOMEGIRJHGLVRMW-UHFFFAOYSA-N
MW345.41 g/mol
LogP0.20
Rot. Bonds6

About 2-[[2-[[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]amino]-2-oxoethyl]-methylamino]-N-methylacetamide

2-[[2-[[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]amino]-2-oxoethyl]-methylamino]-N-methylacetamide (PubChem CID 78825412) has the molecular formula C16H23N7O2 and a molecular weight of 345.41 g/mol. Its IUPAC name is 2-[[2-[[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]amino]-2-oxoethyl]-methylamino]-N-methylacetamide.

Molecular Properties

Compound Name2-[[2-[[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]amino]-2-oxoethyl]-methylamino]-N-methylacetamide
PubChem CID78825412
Molecular FormulaC16H23N7O2
Molecular Weight345.41 g/mol
Exact Mass345.19
IUPAC Name2-[[2-[[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]amino]-2-oxoethyl]-methylamino]-N-methylacetamide
SMILESCNC(=O)CN(C)CC(=O)Nc1cc(C)nn1-c1nc(C)cc(C)n1
InChIInChI=1S/C16H23N7O2/c1-10-6-11(2)19-16(18-10)23-13(7-12(3)21-23)20-15(25)9-22(5)8-14(24)17-4/h6-7H,8-9H2,1-5H3,(H,17,24)(H,20,25)
InChIKeyOMEGIRJHGLVRMW-UHFFFAOYSA-N
XLogP0.20
TPSA105.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-[[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]amino]-2-oxoethyl]-methylamino]-N-methylacetamide?
The IUPAC name of 2-[[2-[[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]amino]-2-oxoethyl]-methylamino]-N-methylacetamide (CID 78825412) is 2-[[2-[[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]amino]-2-oxoethyl]-methylamino]-N-methylacetamide.
What is the SMILES notation for 2-[[2-[[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]amino]-2-oxoethyl]-methylamino]-N-methylacetamide?
The canonical SMILES for 2-[[2-[[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]amino]-2-oxoethyl]-methylamino]-N-methylacetamide is CNC(=O)CN(C)CC(=O)Nc1cc(C)nn1-c1nc(C)cc(C)n1.
What is the InChIKey of 2-[[2-[[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]amino]-2-oxoethyl]-methylamino]-N-methylacetamide?
The InChIKey is OMEGIRJHGLVRMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N7O2/c1-10-6-11(2)19-16(18-10)23-13(7-12(3)21-23)20-15(25)9-22(5)8-14(24)17-4/h6-7H,8-9H2,1-5H3,(H,17,24)(H,20,25).
What are the key properties of 2-[[2-[[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]amino]-2-oxoethyl]-methylamino]-N-methylacetamide?
2-[[2-[[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]amino]-2-oxoethyl]-methylamino]-N-methylacetamide has a molecular weight of 345.41 g/mol, XLogP of 0.20, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]amino]-2-oxoethyl]-methylamino]-N-methylacetamide is sourced from PubChem (CID 78825412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).