N-[4-[[4-(dimethylamino)pyrimidin-2-yl]amino]cyclohexyl]-2-(trifluoromethoxy)benzamide

C20H24F3N5O2 — CID 23027074

IUPACN-[4-[[4-(dimethylamino)pyrimidin-2-yl]amino]cyclohexyl]-2-(trifluoromethoxy)benzamide
SMILESCN(C)c1ccnc(NC2CCC(NC(=O)c3ccccc3OC(F)(F)F)CC2)n1
InChIInChI=1S/C20H24F3N5O2/c1-28(2)17-11-12-24-19(27-17)26-14-9-7-13(8-10-14)25-18(29)15-5-3-4-6-16(15)30-20(21,22)23/h3-6,11-14H,7-10H2,1-2H3,(H,25,29)(H,24,26,27)
InChIKeyYQOUKTBKVGOSED-UHFFFAOYSA-N
MW423.44 g/mol
LogP3.59
Rot. Bonds6

About N-[4-[[4-(dimethylamino)pyrimidin-2-yl]amino]cyclohexyl]-2-(trifluoromethoxy)benzamide

N-[4-[[4-(dimethylamino)pyrimidin-2-yl]amino]cyclohexyl]-2-(trifluoromethoxy)benzamide (PubChem CID 23027074) has the molecular formula C20H24F3N5O2 and a molecular weight of 423.44 g/mol. Its IUPAC name is N-[4-[[4-(dimethylamino)pyrimidin-2-yl]amino]cyclohexyl]-2-(trifluoromethoxy)benzamide.

Molecular Properties

Compound NameN-[4-[[4-(dimethylamino)pyrimidin-2-yl]amino]cyclohexyl]-2-(trifluoromethoxy)benzamide
PubChem CID23027074
Molecular FormulaC20H24F3N5O2
Molecular Weight423.44 g/mol
Exact Mass423.19
IUPAC NameN-[4-[[4-(dimethylamino)pyrimidin-2-yl]amino]cyclohexyl]-2-(trifluoromethoxy)benzamide
SMILESCN(C)c1ccnc(NC2CCC(NC(=O)c3ccccc3OC(F)(F)F)CC2)n1
InChIInChI=1S/C20H24F3N5O2/c1-28(2)17-11-12-24-19(27-17)26-14-9-7-13(8-10-14)25-18(29)15-5-3-4-6-16(15)30-20(21,22)23/h3-6,11-14H,7-10H2,1-2H3,(H,25,29)(H,24,26,27)
InChIKeyYQOUKTBKVGOSED-UHFFFAOYSA-N
XLogP3.59
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.44
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-(dimethylamino)pyrimidin-2-yl]amino]cyclohexyl]-2-(trifluoromethoxy)benzamide?
The IUPAC name of N-[4-[[4-(dimethylamino)pyrimidin-2-yl]amino]cyclohexyl]-2-(trifluoromethoxy)benzamide (CID 23027074) is N-[4-[[4-(dimethylamino)pyrimidin-2-yl]amino]cyclohexyl]-2-(trifluoromethoxy)benzamide.
What is the SMILES notation for N-[4-[[4-(dimethylamino)pyrimidin-2-yl]amino]cyclohexyl]-2-(trifluoromethoxy)benzamide?
The canonical SMILES for N-[4-[[4-(dimethylamino)pyrimidin-2-yl]amino]cyclohexyl]-2-(trifluoromethoxy)benzamide is CN(C)c1ccnc(NC2CCC(NC(=O)c3ccccc3OC(F)(F)F)CC2)n1.
What is the InChIKey of N-[4-[[4-(dimethylamino)pyrimidin-2-yl]amino]cyclohexyl]-2-(trifluoromethoxy)benzamide?
The InChIKey is YQOUKTBKVGOSED-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F3N5O2/c1-28(2)17-11-12-24-19(27-17)26-14-9-7-13(8-10-14)25-18(29)15-5-3-4-6-16(15)30-20(21,22)23/h3-6,11-14H,7-10H2,1-2H3,(H,25,29)(H,24,26,27).
What are the key properties of N-[4-[[4-(dimethylamino)pyrimidin-2-yl]amino]cyclohexyl]-2-(trifluoromethoxy)benzamide?
N-[4-[[4-(dimethylamino)pyrimidin-2-yl]amino]cyclohexyl]-2-(trifluoromethoxy)benzamide has a molecular weight of 423.44 g/mol, XLogP of 3.59, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-(dimethylamino)pyrimidin-2-yl]amino]cyclohexyl]-2-(trifluoromethoxy)benzamide is sourced from PubChem (CID 23027074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).