N-(4-bromophenyl)-3-[[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]amino]propanamide

C16H17BrF3N5O — CID 60521236

IUPACN-(4-bromophenyl)-3-[[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]amino]propanamide
SMILESCN(C)c1cc(C(F)(F)F)nc(NCCC(=O)Nc2ccc(Br)cc2)n1
InChIInChI=1S/C16H17BrF3N5O/c1-25(2)13-9-12(16(18,19)20)23-15(24-13)21-8-7-14(26)22-11-5-3-10(17)4-6-11/h3-6,9H,7-8H2,1-2H3,(H,22,26)(H,21,23,24)
InChIKeyXGQUEOFXCXUVKG-UHFFFAOYSA-N
MW432.24 g/mol
LogP3.76
Rot. Bonds6

About N-(4-bromophenyl)-3-[[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]amino]propanamide

N-(4-bromophenyl)-3-[[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]amino]propanamide (PubChem CID 60521236) has the molecular formula C16H17BrF3N5O and a molecular weight of 432.24 g/mol. Its IUPAC name is N-(4-bromophenyl)-3-[[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]amino]propanamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-3-[[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]amino]propanamide
PubChem CID60521236
Molecular FormulaC16H17BrF3N5O
Molecular Weight432.24 g/mol
Exact Mass431.06
IUPAC NameN-(4-bromophenyl)-3-[[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]amino]propanamide
SMILESCN(C)c1cc(C(F)(F)F)nc(NCCC(=O)Nc2ccc(Br)cc2)n1
InChIInChI=1S/C16H17BrF3N5O/c1-25(2)13-9-12(16(18,19)20)23-15(24-13)21-8-7-14(26)22-11-5-3-10(17)4-6-11/h3-6,9H,7-8H2,1-2H3,(H,22,26)(H,21,23,24)
InChIKeyXGQUEOFXCXUVKG-UHFFFAOYSA-N
XLogP3.76
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.24
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(4-bromophenyl)-3-[[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]amino]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(4-bromoanilino)-N-(3,4-dimethylphenyl)propanamide
CID 109035446
3-[2-[[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]amino]ethylsulfanyl]propan-1-ol
CID 111104935
N-[4-[[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-N-methylacetamide
CID 133277108
N-(4-bromophenyl)-3-(4-chloroanilino)propanamide
CID 109038187
N,2-dimethyl-3-[methyl-[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]propanamide
CID 106918664
3-(4-bromoanilino)-N-(3-methylphenyl)propanamide
CID 109034162
N-(4-bromophenyl)-3-(2-tert-butylanilino)propanamide
CID 109037311
5-[[[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]oxolane-2-carboxamide
CID 133380577
4-(4-bromoanilino)-4-oxobutanoic acid
CID 2828913
1-[4-[3-(dimethylamino)propylamino]-6-(trifluoromethyl)pyrimidin-2-yl]-3-(4-methylphenyl)urea
CID 159714745
N-(6-bromonaphthalen-2-yl)-3-(tert-butylamino)propanamide
CID 81266206
N-methyl-2-[methyl-[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]acetamide
CID 114564053

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-3-[[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]amino]propanamide?
The IUPAC name of N-(4-bromophenyl)-3-[[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]amino]propanamide (CID 60521236) is N-(4-bromophenyl)-3-[[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]amino]propanamide.
What is the SMILES notation for N-(4-bromophenyl)-3-[[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]amino]propanamide?
The canonical SMILES for N-(4-bromophenyl)-3-[[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]amino]propanamide is CN(C)c1cc(C(F)(F)F)nc(NCCC(=O)Nc2ccc(Br)cc2)n1.
What is the InChIKey of N-(4-bromophenyl)-3-[[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]amino]propanamide?
The InChIKey is XGQUEOFXCXUVKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrF3N5O/c1-25(2)13-9-12(16(18,19)20)23-15(24-13)21-8-7-14(26)22-11-5-3-10(17)4-6-11/h3-6,9H,7-8H2,1-2H3,(H,22,26)(H,21,23,24).
What are the key properties of N-(4-bromophenyl)-3-[[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]amino]propanamide?
N-(4-bromophenyl)-3-[[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]amino]propanamide has a molecular weight of 432.24 g/mol, XLogP of 3.76, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-3-[[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]amino]propanamide is sourced from PubChem (CID 60521236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).