4-[[[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]-N,N-diethylbenzamide

C19H24F3N5O — CID 78870763

IUPAC4-[[[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1ccc(CNc2nc(N(C)C)cc(C(F)(F)F)n2)cc1
InChIInChI=1S/C19H24F3N5O/c1-5-27(6-2)17(28)14-9-7-13(8-10-14)12-23-18-24-15(19(20,21)22)11-16(25-18)26(3)4/h7-11H,5-6,12H2,1-4H3,(H,23,24,25)
InChIKeyRMBDAFGKDBGAHL-UHFFFAOYSA-N
MW395.43 g/mol
LogP3.66
Rot. Bonds7

About 4-[[[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]-N,N-diethylbenzamide

4-[[[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]-N,N-diethylbenzamide (PubChem CID 78870763) has the molecular formula C19H24F3N5O and a molecular weight of 395.43 g/mol. Its IUPAC name is 4-[[[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]-N,N-diethylbenzamide.

Molecular Properties

Compound Name4-[[[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]-N,N-diethylbenzamide
PubChem CID78870763
Molecular FormulaC19H24F3N5O
Molecular Weight395.43 g/mol
Exact Mass395.19
IUPAC Name4-[[[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1ccc(CNc2nc(N(C)C)cc(C(F)(F)F)n2)cc1
InChIInChI=1S/C19H24F3N5O/c1-5-27(6-2)17(28)14-9-7-13(8-10-14)12-23-18-24-15(19(20,21)22)11-16(25-18)26(3)4/h7-11H,5-6,12H2,1-4H3,(H,23,24,25)
InChIKeyRMBDAFGKDBGAHL-UHFFFAOYSA-N
XLogP3.66
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.43
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]-N,N-diethylbenzamide?
The IUPAC name of 4-[[[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]-N,N-diethylbenzamide (CID 78870763) is 4-[[[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]-N,N-diethylbenzamide.
What is the SMILES notation for 4-[[[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]-N,N-diethylbenzamide?
The canonical SMILES for 4-[[[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]-N,N-diethylbenzamide is CCN(CC)C(=O)c1ccc(CNc2nc(N(C)C)cc(C(F)(F)F)n2)cc1.
What is the InChIKey of 4-[[[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]-N,N-diethylbenzamide?
The InChIKey is RMBDAFGKDBGAHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F3N5O/c1-5-27(6-2)17(28)14-9-7-13(8-10-14)12-23-18-24-15(19(20,21)22)11-16(25-18)26(3)4/h7-11H,5-6,12H2,1-4H3,(H,23,24,25).
What are the key properties of 4-[[[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]-N,N-diethylbenzamide?
4-[[[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]-N,N-diethylbenzamide has a molecular weight of 395.43 g/mol, XLogP of 3.66, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]-N,N-diethylbenzamide is sourced from PubChem (CID 78870763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).