2-[4-[[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-1-yl]-1-(2,6-dimethylmorpholin-4-yl)ethanone

C18H24F3N7O2 — CID 133330291

IUPAC2-[4-[[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-1-yl]-1-(2,6-dimethylmorpholin-4-yl)ethanone
SMILESCC1CN(C(=O)Cn2cc(Nc3nc(N(C)C)cc(C(F)(F)F)n3)cn2)CC(C)O1
InChIInChI=1S/C18H24F3N7O2/c1-11-7-27(8-12(2)30-11)16(29)10-28-9-13(6-22-28)23-17-24-14(18(19,20)21)5-15(25-17)26(3)4/h5-6,9,11-12H,7-8,10H2,1-4H3,(H,23,24,25)
InChIKeyKNTWODMDVUBILS-UHFFFAOYSA-N
MW427.43 g/mol
LogP2.14
Rot. Bonds5

About 2-[4-[[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-1-yl]-1-(2,6-dimethylmorpholin-4-yl)ethanone

2-[4-[[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-1-yl]-1-(2,6-dimethylmorpholin-4-yl)ethanone (PubChem CID 133330291) has the molecular formula C18H24F3N7O2 and a molecular weight of 427.43 g/mol. Its IUPAC name is 2-[4-[[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-1-yl]-1-(2,6-dimethylmorpholin-4-yl)ethanone.

Molecular Properties

Compound Name2-[4-[[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-1-yl]-1-(2,6-dimethylmorpholin-4-yl)ethanone
PubChem CID133330291
Molecular FormulaC18H24F3N7O2
Molecular Weight427.43 g/mol
Exact Mass427.19
IUPAC Name2-[4-[[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-1-yl]-1-(2,6-dimethylmorpholin-4-yl)ethanone
SMILESCC1CN(C(=O)Cn2cc(Nc3nc(N(C)C)cc(C(F)(F)F)n3)cn2)CC(C)O1
InChIInChI=1S/C18H24F3N7O2/c1-11-7-27(8-12(2)30-11)16(29)10-28-9-13(6-22-28)23-17-24-14(18(19,20)21)5-15(25-17)26(3)4/h5-6,9,11-12H,7-8,10H2,1-4H3,(H,23,24,25)
InChIKeyKNTWODMDVUBILS-UHFFFAOYSA-N
XLogP2.14
TPSA88.41 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.43
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-1-yl]-1-(2,6-dimethylmorpholin-4-yl)ethanone?
The IUPAC name of 2-[4-[[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-1-yl]-1-(2,6-dimethylmorpholin-4-yl)ethanone (CID 133330291) is 2-[4-[[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-1-yl]-1-(2,6-dimethylmorpholin-4-yl)ethanone.
What is the SMILES notation for 2-[4-[[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-1-yl]-1-(2,6-dimethylmorpholin-4-yl)ethanone?
The canonical SMILES for 2-[4-[[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-1-yl]-1-(2,6-dimethylmorpholin-4-yl)ethanone is CC1CN(C(=O)Cn2cc(Nc3nc(N(C)C)cc(C(F)(F)F)n3)cn2)CC(C)O1.
What is the InChIKey of 2-[4-[[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-1-yl]-1-(2,6-dimethylmorpholin-4-yl)ethanone?
The InChIKey is KNTWODMDVUBILS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F3N7O2/c1-11-7-27(8-12(2)30-11)16(29)10-28-9-13(6-22-28)23-17-24-14(18(19,20)21)5-15(25-17)26(3)4/h5-6,9,11-12H,7-8,10H2,1-4H3,(H,23,24,25).
What are the key properties of 2-[4-[[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-1-yl]-1-(2,6-dimethylmorpholin-4-yl)ethanone?
2-[4-[[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-1-yl]-1-(2,6-dimethylmorpholin-4-yl)ethanone has a molecular weight of 427.43 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-1-yl]-1-(2,6-dimethylmorpholin-4-yl)ethanone is sourced from PubChem (CID 133330291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).