N-[3-[[[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]phenyl]-2-methylbutanamide

C19H24F3N5O — CID 78897830

IUPACN-[3-[[[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]phenyl]-2-methylbutanamide
SMILESCCC(C)C(=O)Nc1cccc(CNc2nc(N(C)C)cc(C(F)(F)F)n2)c1
InChIInChI=1S/C19H24F3N5O/c1-5-12(2)17(28)24-14-8-6-7-13(9-14)11-23-18-25-15(19(20,21)22)10-16(26-18)27(3)4/h6-10,12H,5,11H2,1-4H3,(H,24,28)(H,23,25,26)
InChIKeyONQCWDYQRKSWRG-UHFFFAOYSA-N
MW395.43 g/mol
LogP4.16
Rot. Bonds7

About N-[3-[[[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]phenyl]-2-methylbutanamide

N-[3-[[[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]phenyl]-2-methylbutanamide (PubChem CID 78897830) has the molecular formula C19H24F3N5O and a molecular weight of 395.43 g/mol. Its IUPAC name is N-[3-[[[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]phenyl]-2-methylbutanamide.

Molecular Properties

Compound NameN-[3-[[[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]phenyl]-2-methylbutanamide
PubChem CID78897830
Molecular FormulaC19H24F3N5O
Molecular Weight395.43 g/mol
Exact Mass395.19
IUPAC NameN-[3-[[[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]phenyl]-2-methylbutanamide
SMILESCCC(C)C(=O)Nc1cccc(CNc2nc(N(C)C)cc(C(F)(F)F)n2)c1
InChIInChI=1S/C19H24F3N5O/c1-5-12(2)17(28)24-14-8-6-7-13(9-14)11-23-18-25-15(19(20,21)22)10-16(26-18)27(3)4/h6-10,12H,5,11H2,1-4H3,(H,24,28)(H,23,25,26)
InChIKeyONQCWDYQRKSWRG-UHFFFAOYSA-N
XLogP4.16
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.43
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[3-[[[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]phenyl]-2-methylbutanamide with MolForge

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Related Compounds

2-methyl-N-[3-[[[N'-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]carbamimidoyl]amino]methyl]phenyl]butanamide;hydroiodide
CID 111615941
2-methyl-N-[3-[[[N'-methyl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]carbamimidoyl]amino]methyl]phenyl]butanamide
CID 111688044
N-[3-[[[(2R)-2-aminopropanoyl]amino]methyl]phenyl]-2-methylbutanamide;hydrochloride
CID 119285748
6-[[3-(2-methylbutanoylamino)phenyl]methylcarbamoyl]pyridine-2-carboxylic acid
CID 119181695
N-(4-bromophenyl)-3-[[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]amino]propanamide
CID 60521236
2-methyl-N-[3-[[[5-(methylsulfamoyl)-2-pyridinyl]amino]methyl]phenyl]butanamide
CID 133297158
N,2-dimethyl-3-[methyl-[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]propanamide
CID 106918664
N-[3-[[[(2R)-2-methylbutanoyl]amino]methyl]phenyl]cyclopropanecarboxamide
CID 30291694
2-ethyl-N-[[3-(2-ethylbutanoylamino)phenyl]methyl]butanamide
CID 52845726
N-[3-[[[2-(4-fluorophenyl)-2-hydroxyethyl]carbamoylamino]methyl]phenyl]-2-methylbutanamide
CID 87005981
N-[3-[(2-chloro-6-cyanoanilino)methyl]phenyl]-2-methylbutanamide
CID 133317873
3-chloro-N-[3-[(dimethylamino)methyl]phenyl]-2-methylpropanamide
CID 62727196

Frequently Asked Questions

What is the IUPAC name of N-[3-[[[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]phenyl]-2-methylbutanamide?
The IUPAC name of N-[3-[[[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]phenyl]-2-methylbutanamide (CID 78897830) is N-[3-[[[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]phenyl]-2-methylbutanamide.
What is the SMILES notation for N-[3-[[[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]phenyl]-2-methylbutanamide?
The canonical SMILES for N-[3-[[[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]phenyl]-2-methylbutanamide is CCC(C)C(=O)Nc1cccc(CNc2nc(N(C)C)cc(C(F)(F)F)n2)c1.
What is the InChIKey of N-[3-[[[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]phenyl]-2-methylbutanamide?
The InChIKey is ONQCWDYQRKSWRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F3N5O/c1-5-12(2)17(28)24-14-8-6-7-13(9-14)11-23-18-25-15(19(20,21)22)10-16(26-18)27(3)4/h6-10,12H,5,11H2,1-4H3,(H,24,28)(H,23,25,26).
What are the key properties of N-[3-[[[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]phenyl]-2-methylbutanamide?
N-[3-[[[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]phenyl]-2-methylbutanamide has a molecular weight of 395.43 g/mol, XLogP of 4.16, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]phenyl]-2-methylbutanamide is sourced from PubChem (CID 78897830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).