N-[[4-(dimethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]methyl]-2-(trifluoromethoxy)benzamide

C18H21F3N6O2 — CID 121137983

IUPACN-[[4-(dimethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]methyl]-2-(trifluoromethoxy)benzamide
SMILESCN(C)c1nc(CNC(=O)c2ccccc2OC(F)(F)F)nc(N2CCCC2)n1
InChIInChI=1S/C18H21F3N6O2/c1-26(2)16-23-14(24-17(25-16)27-9-5-6-10-27)11-22-15(28)12-7-3-4-8-13(12)29-18(19,20)21/h3-4,7-8H,5-6,9-11H2,1-2H3,(H,22,28)
InChIKeySMMSJGPSQSAMNO-UHFFFAOYSA-N
MW410.40 g/mol
LogP2.37
Rot. Bonds6

About N-[[4-(dimethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]methyl]-2-(trifluoromethoxy)benzamide

N-[[4-(dimethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]methyl]-2-(trifluoromethoxy)benzamide (PubChem CID 121137983) has the molecular formula C18H21F3N6O2 and a molecular weight of 410.40 g/mol. Its IUPAC name is N-[[4-(dimethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]methyl]-2-(trifluoromethoxy)benzamide.

Molecular Properties

Compound NameN-[[4-(dimethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]methyl]-2-(trifluoromethoxy)benzamide
PubChem CID121137983
Molecular FormulaC18H21F3N6O2
Molecular Weight410.40 g/mol
Exact Mass410.17
IUPAC NameN-[[4-(dimethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]methyl]-2-(trifluoromethoxy)benzamide
SMILESCN(C)c1nc(CNC(=O)c2ccccc2OC(F)(F)F)nc(N2CCCC2)n1
InChIInChI=1S/C18H21F3N6O2/c1-26(2)16-23-14(24-17(25-16)27-9-5-6-10-27)11-22-15(28)12-7-3-4-8-13(12)29-18(19,20)21/h3-4,7-8H,5-6,9-11H2,1-2H3,(H,22,28)
InChIKeySMMSJGPSQSAMNO-UHFFFAOYSA-N
XLogP2.37
TPSA83.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.40
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]-2-(trifluoromethoxy)benzamide
CID 122317868
1-[[4-(dimethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 122254254
N-[[4-(dimethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]methyl]-2,3,4-trifluorobenzamide
CID 122254319
N-[[4-(dimethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]methyl]thiophene-2-carboxamide
CID 122254172
N-[[4-(dimethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]methyl]-2,5-dimethylfuran-3-carboxamide
CID 121137973
4-acetyl-N-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]methyl]benzamide
CID 122254637
N-[[4-(dimethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]methyl]-2-phenoxyacetamide
CID 122254169
N-[[4-(dimethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]methyl]-3-methylbenzamide
CID 122254152
3-(dimethylamino)-N-[[4-(dimethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]methyl]benzamide
CID 122254297
1-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]methyl]-3-(2-ethoxyphenyl)urea
CID 121016894
3-(dimethylamino)-N-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]methyl]benzamide
CID 122254570
N-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]methyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 121138047

Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]methyl]-2-(trifluoromethoxy)benzamide?
The IUPAC name of N-[[4-(dimethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]methyl]-2-(trifluoromethoxy)benzamide (CID 121137983) is N-[[4-(dimethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]methyl]-2-(trifluoromethoxy)benzamide.
What is the SMILES notation for N-[[4-(dimethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]methyl]-2-(trifluoromethoxy)benzamide?
The canonical SMILES for N-[[4-(dimethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]methyl]-2-(trifluoromethoxy)benzamide is CN(C)c1nc(CNC(=O)c2ccccc2OC(F)(F)F)nc(N2CCCC2)n1.
What is the InChIKey of N-[[4-(dimethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]methyl]-2-(trifluoromethoxy)benzamide?
The InChIKey is SMMSJGPSQSAMNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F3N6O2/c1-26(2)16-23-14(24-17(25-16)27-9-5-6-10-27)11-22-15(28)12-7-3-4-8-13(12)29-18(19,20)21/h3-4,7-8H,5-6,9-11H2,1-2H3,(H,22,28).
What are the key properties of N-[[4-(dimethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]methyl]-2-(trifluoromethoxy)benzamide?
N-[[4-(dimethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]methyl]-2-(trifluoromethoxy)benzamide has a molecular weight of 410.40 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]methyl]-2-(trifluoromethoxy)benzamide is sourced from PubChem (CID 121137983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).