2-[[5-bromo-6-phenyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]-N-cyclopropyl-N-methylacetamide

C23H20BrF3N4O — CID 10229057

IUPAC2-[[5-bromo-6-phenyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]-N-cyclopropyl-N-methylacetamide
SMILESCN(C(=O)CNc1nc(-c2ccc(C(F)(F)F)cc2)nc(-c2ccccc2)c1Br)C1CC1
InChIInChI=1S/C23H20BrF3N4O/c1-31(17-11-12-17)18(32)13-28-22-19(24)20(14-5-3-2-4-6-14)29-21(30-22)15-7-9-16(10-8-15)23(25,26)27/h2-10,17H,11-13H2,1H3,(H,28,29,30)
InChIKeyVWMOEVDCGTZEMK-UHFFFAOYSA-N
MW505.34 g/mol
LogP5.62
Rot. Bonds6

About 2-[[5-bromo-6-phenyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]-N-cyclopropyl-N-methylacetamide

2-[[5-bromo-6-phenyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]-N-cyclopropyl-N-methylacetamide (PubChem CID 10229057) has the molecular formula C23H20BrF3N4O and a molecular weight of 505.34 g/mol. Its IUPAC name is 2-[[5-bromo-6-phenyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]-N-cyclopropyl-N-methylacetamide.

Molecular Properties

Compound Name2-[[5-bromo-6-phenyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]-N-cyclopropyl-N-methylacetamide
PubChem CID10229057
Molecular FormulaC23H20BrF3N4O
Molecular Weight505.34 g/mol
Exact Mass504.08
IUPAC Name2-[[5-bromo-6-phenyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]-N-cyclopropyl-N-methylacetamide
SMILESCN(C(=O)CNc1nc(-c2ccc(C(F)(F)F)cc2)nc(-c2ccccc2)c1Br)C1CC1
InChIInChI=1S/C23H20BrF3N4O/c1-31(17-11-12-17)18(32)13-28-22-19(24)20(14-5-3-2-4-6-14)29-21(30-22)15-7-9-16(10-8-15)23(25,26)27/h2-10,17H,11-13H2,1H3,(H,28,29,30)
InChIKeyVWMOEVDCGTZEMK-UHFFFAOYSA-N
XLogP5.62
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.34
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[[5-bromo-6-phenyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]-N-cyclopropyl-N-methylacetamide 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

2-[3-bromo-5-(trifluoromethyl)anilino]-N-cyclopropyl-N-methylacetamide
CID 65489038
2-[[5,6-dimethyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]-N,N-dipropylacetamide
CID 12017714
N-cyclopropyl-N-methyl-2-[[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]amino]acetamide
CID 99820860
2-[[6-phenyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]acetic acid
CID 139886551
3-[[5-chloro-6-phenyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]propane-1,2-diol
CID 139886556
N-cyclopropyl-N-methyl-2-(naphthalen-2-ylamino)acetamide
CID 61488971
N-cyclopropyl-2-(2-iodoanilino)-N-methylacetamide
CID 61488566
N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-5-[4-[4-(trifluoromethyl)phenyl]phenyl]furan-2-carboxamide
CID 66990631
2-[4-methyl-2-phenyl-6-[4-(trifluoromethyl)phenyl]pyrimidin-5-yl]pentanoic acid
CID 66955893
2-anilino-N-methyl-N-(1-methylpiperidin-4-yl)acetamide
CID 54927274
N-[2-[azetidin-3-yl(methyl)amino]-2-oxoethyl]benzamide
CID 66185921
N-cyclopropyl-2-(2,6-diethylanilino)-N-methylacetamide
CID 62327514

Frequently Asked Questions

What is the IUPAC name of 2-[[5-bromo-6-phenyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]-N-cyclopropyl-N-methylacetamide?
The IUPAC name of 2-[[5-bromo-6-phenyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]-N-cyclopropyl-N-methylacetamide (CID 10229057) is 2-[[5-bromo-6-phenyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]-N-cyclopropyl-N-methylacetamide.
What is the SMILES notation for 2-[[5-bromo-6-phenyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]-N-cyclopropyl-N-methylacetamide?
The canonical SMILES for 2-[[5-bromo-6-phenyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]-N-cyclopropyl-N-methylacetamide is CN(C(=O)CNc1nc(-c2ccc(C(F)(F)F)cc2)nc(-c2ccccc2)c1Br)C1CC1.
What is the InChIKey of 2-[[5-bromo-6-phenyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]-N-cyclopropyl-N-methylacetamide?
The InChIKey is VWMOEVDCGTZEMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20BrF3N4O/c1-31(17-11-12-17)18(32)13-28-22-19(24)20(14-5-3-2-4-6-14)29-21(30-22)15-7-9-16(10-8-15)23(25,26)27/h2-10,17H,11-13H2,1H3,(H,28,29,30).
What are the key properties of 2-[[5-bromo-6-phenyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]-N-cyclopropyl-N-methylacetamide?
2-[[5-bromo-6-phenyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]-N-cyclopropyl-N-methylacetamide has a molecular weight of 505.34 g/mol, XLogP of 5.62, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-bromo-6-phenyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]-N-cyclopropyl-N-methylacetamide is sourced from PubChem (CID 10229057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).