2-[3,5-bis(trifluoromethyl)phenyl]-N-[2-[2-(dimethylamino)propoxy]-4-(2-methylphenoxy)pyrimidin-5-yl]-N,2-dimethylpropanamide

C29H32F6N4O3 — CID 22674274

IUPAC2-[3,5-bis(trifluoromethyl)phenyl]-N-[2-[2-(dimethylamino)propoxy]-4-(2-methylphenoxy)pyrimidin-5-yl]-N,2-dimethylpropanamide
SMILESCc1ccccc1Oc1nc(OCC(C)N(C)C)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C29H32F6N4O3/c1-17-10-8-9-11-23(17)42-24-22(15-36-26(37-24)41-16-18(2)38(5)6)39(7)25(40)27(3,4)19-12-20(28(30,31)32)14-21(13-19)29(33,34)35/h8-15,18H,16H2,1-7H3
InChIKeyURESWRXFAVWLIP-UHFFFAOYSA-N
MW598.59 g/mol
LogP6.88
Rot. Bonds9

About 2-[3,5-bis(trifluoromethyl)phenyl]-N-[2-[2-(dimethylamino)propoxy]-4-(2-methylphenoxy)pyrimidin-5-yl]-N,2-dimethylpropanamide

2-[3,5-bis(trifluoromethyl)phenyl]-N-[2-[2-(dimethylamino)propoxy]-4-(2-methylphenoxy)pyrimidin-5-yl]-N,2-dimethylpropanamide (PubChem CID 22674274) has the molecular formula C29H32F6N4O3 and a molecular weight of 598.59 g/mol. Its IUPAC name is 2-[3,5-bis(trifluoromethyl)phenyl]-N-[2-[2-(dimethylamino)propoxy]-4-(2-methylphenoxy)pyrimidin-5-yl]-N,2-dimethylpropanamide.

Molecular Properties

Compound Name2-[3,5-bis(trifluoromethyl)phenyl]-N-[2-[2-(dimethylamino)propoxy]-4-(2-methylphenoxy)pyrimidin-5-yl]-N,2-dimethylpropanamide
PubChem CID22674274
Molecular FormulaC29H32F6N4O3
Molecular Weight598.59 g/mol
Exact Mass598.24
IUPAC Name2-[3,5-bis(trifluoromethyl)phenyl]-N-[2-[2-(dimethylamino)propoxy]-4-(2-methylphenoxy)pyrimidin-5-yl]-N,2-dimethylpropanamide
SMILESCc1ccccc1Oc1nc(OCC(C)N(C)C)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C29H32F6N4O3/c1-17-10-8-9-11-23(17)42-24-22(15-36-26(37-24)41-16-18(2)38(5)6)39(7)25(40)27(3,4)19-12-20(28(30,31)32)14-21(13-19)29(33,34)35/h8-15,18H,16H2,1-7H3
InChIKeyURESWRXFAVWLIP-UHFFFAOYSA-N
XLogP6.88
TPSA67.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500598.59
LogP ≤ 56.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[3,5-bis(trifluoromethyl)phenyl]-N-[2-[2-(dimethylamino)propoxy]-4-(2-methylphenoxy)pyrimidin-5-yl]-N,2-dimethylpropanamide 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-[3,5-bis(trifluoromethyl)phenyl]-N-[4-(2-chlorophenoxy)-2-[2-(dimethylamino)ethoxy]pyrimidin-5-yl]-N,2-dimethylpropanamide;2-(dimethylamino)ethanol
CID 22674336
N-[2-[3,5-bis(trifluoromethyl)phenyl]propan-2-yl]-2-[3-(dimethylamino)propoxy]-N-methyl-4-(2-methylphenoxy)pyrimidine-5-carboxamide
CID 10282144
2-[[5-[[2-[3,5-bis(trifluoromethyl)phenyl]-2-methylpropanoyl]-methylamino]-4-(2-methylphenyl)-2-pyridinyl]-methylamino]acetic acid
CID 151587952
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-[2-(dimethylamino)propoxy]-N-methyl-5-(2-methylphenyl)pyrimidine-4-carboxamide;2-(dimethylamino)propan-1-ol
CID 161355286
2-[3,5-bis(trifluoromethyl)phenyl]-N-[6-(2,5-dioxopyrrolidin-1-yl)-4-(2-methylphenyl)-3-pyridinyl]-N,2-dimethylpropanamide
CID 10231820
2-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethyl-N-[4-(2-methylphenyl)-6-(2-phenylethynyl)-3-pyridinyl]propanamide
CID 23502848
2-[3,5-bis(trifluoromethyl)phenyl]-N-[4-(2-chlorophenyl)-6-(2-hydroxyethoxy)-3-pyridinyl]-N,2-dimethylpropanamide
CID 11584906
2-[3,5-bis(trifluoromethyl)phenyl]-N-[6-chloro-4-(4-fluorophenyl)-3-pyridinyl]-N,2-dimethylpropanamide
CID 23502783
2-[3,5-bis(trifluoromethyl)phenyl]-N-[4-(4-fluoro-2-methylphenyl)-6-pyridin-3-yl-3-pyridinyl]-N,2-dimethylpropanamide
CID 11534326
2-[3,5-bis(trifluoromethyl)phenyl]-N-[4-(2-chlorophenyl)-6-[[(2R)-1-hydroxypropan-2-yl]amino]-3-pyridinyl]-N,2-dimethylpropanamide
CID 87304259
2-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethyl-N-[4-(2-methylphenyl)-6-oxo-1H-pyridin-3-yl]propanamide
CID 23502864
ethyl 3-[5-[[2-[3,5-bis(trifluoromethyl)phenyl]-2-methylpropanoyl]-methylamino]-4-(4-fluoro-2-methylphenyl)-2-pyridinyl]-4-nitropentanoate
CID 87303841

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-bis(trifluoromethyl)phenyl]-N-[2-[2-(dimethylamino)propoxy]-4-(2-methylphenoxy)pyrimidin-5-yl]-N,2-dimethylpropanamide?
The IUPAC name of 2-[3,5-bis(trifluoromethyl)phenyl]-N-[2-[2-(dimethylamino)propoxy]-4-(2-methylphenoxy)pyrimidin-5-yl]-N,2-dimethylpropanamide (CID 22674274) is 2-[3,5-bis(trifluoromethyl)phenyl]-N-[2-[2-(dimethylamino)propoxy]-4-(2-methylphenoxy)pyrimidin-5-yl]-N,2-dimethylpropanamide.
What is the SMILES notation for 2-[3,5-bis(trifluoromethyl)phenyl]-N-[2-[2-(dimethylamino)propoxy]-4-(2-methylphenoxy)pyrimidin-5-yl]-N,2-dimethylpropanamide?
The canonical SMILES for 2-[3,5-bis(trifluoromethyl)phenyl]-N-[2-[2-(dimethylamino)propoxy]-4-(2-methylphenoxy)pyrimidin-5-yl]-N,2-dimethylpropanamide is Cc1ccccc1Oc1nc(OCC(C)N(C)C)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of 2-[3,5-bis(trifluoromethyl)phenyl]-N-[2-[2-(dimethylamino)propoxy]-4-(2-methylphenoxy)pyrimidin-5-yl]-N,2-dimethylpropanamide?
The InChIKey is URESWRXFAVWLIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32F6N4O3/c1-17-10-8-9-11-23(17)42-24-22(15-36-26(37-24)41-16-18(2)38(5)6)39(7)25(40)27(3,4)19-12-20(28(30,31)32)14-21(13-19)29(33,34)35/h8-15,18H,16H2,1-7H3.
What are the key properties of 2-[3,5-bis(trifluoromethyl)phenyl]-N-[2-[2-(dimethylamino)propoxy]-4-(2-methylphenoxy)pyrimidin-5-yl]-N,2-dimethylpropanamide?
2-[3,5-bis(trifluoromethyl)phenyl]-N-[2-[2-(dimethylamino)propoxy]-4-(2-methylphenoxy)pyrimidin-5-yl]-N,2-dimethylpropanamide has a molecular weight of 598.59 g/mol, XLogP of 6.88, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-bis(trifluoromethyl)phenyl]-N-[2-[2-(dimethylamino)propoxy]-4-(2-methylphenoxy)pyrimidin-5-yl]-N,2-dimethylpropanamide is sourced from PubChem (CID 22674274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).