N-[(1R)-2,2-dimethyl-1-[4-(2,2,2-trifluoroethyl)phenyl]propyl]-2-methyl-6-oxo-1H-pyrimidine-4-carboxamide

C19H22F3N3O2 — CID 136982952

IUPACN-[(1R)-2,2-dimethyl-1-[4-(2,2,2-trifluoroethyl)phenyl]propyl]-2-methyl-6-oxo-1H-pyrimidine-4-carboxamide
SMILESCc1nc(C(=O)N[C@@H](c2ccc(CC(F)(F)F)cc2)C(C)(C)C)cc(=O)[nH]1
InChIInChI=1S/C19H22F3N3O2/c1-11-23-14(9-15(26)24-11)17(27)25-16(18(2,3)4)13-7-5-12(6-8-13)10-19(20,21)22/h5-9,16H,10H2,1-4H3,(H,25,27)(H,23,24,26)/t16-/m0/s1
InChIKeyZZOZSSUBSSTQNH-INIZCTEOSA-N
MW381.40 g/mol
LogP3.70
Rot. Bonds4

About N-[(1R)-2,2-dimethyl-1-[4-(2,2,2-trifluoroethyl)phenyl]propyl]-2-methyl-6-oxo-1H-pyrimidine-4-carboxamide

N-[(1R)-2,2-dimethyl-1-[4-(2,2,2-trifluoroethyl)phenyl]propyl]-2-methyl-6-oxo-1H-pyrimidine-4-carboxamide (PubChem CID 136982952) has the molecular formula C19H22F3N3O2 and a molecular weight of 381.40 g/mol. Its IUPAC name is N-[(1R)-2,2-dimethyl-1-[4-(2,2,2-trifluoroethyl)phenyl]propyl]-2-methyl-6-oxo-1H-pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[(1R)-2,2-dimethyl-1-[4-(2,2,2-trifluoroethyl)phenyl]propyl]-2-methyl-6-oxo-1H-pyrimidine-4-carboxamide
PubChem CID136982952
Molecular FormulaC19H22F3N3O2
Molecular Weight381.40 g/mol
Exact Mass381.17
IUPAC NameN-[(1R)-2,2-dimethyl-1-[4-(2,2,2-trifluoroethyl)phenyl]propyl]-2-methyl-6-oxo-1H-pyrimidine-4-carboxamide
SMILESCc1nc(C(=O)N[C@@H](c2ccc(CC(F)(F)F)cc2)C(C)(C)C)cc(=O)[nH]1
InChIInChI=1S/C19H22F3N3O2/c1-11-23-14(9-15(26)24-11)17(27)25-16(18(2,3)4)13-7-5-12(6-8-13)10-19(20,21)22/h5-9,16H,10H2,1-4H3,(H,25,27)(H,23,24,26)/t16-/m0/s1
InChIKeyZZOZSSUBSSTQNH-INIZCTEOSA-N
XLogP3.70
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.40
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R)-2,2-dimethyl-1-[4-(2,2,2-trifluoroethyl)phenyl]propyl]-6-oxo-2-phenyl-1H-pyrimidine-4-carboxamide
CID 136982966
N-[2,2-dimethyl-1-[4-(pentafluoro-λ6-sulfanyl)phenyl]propyl]-2-methyl-6-oxo-1H-pyrimidine-4-carboxamide
CID 144874330
N-[(1R)-1-[2-fluoro-4-(trifluoromethyl)phenyl]-2,2-dimethylpropyl]-2-methyl-6-oxo-1H-pyrimidine-4-carboxamide
CID 136982645
2-methyl-6-oxo-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]-1H-pyrimidine-4-carboxamide
CID 136982923
2-methyl-6-oxo-N-[(1R)-1-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]ethyl]-1H-pyrimidine-4-carboxamide
CID 140765789
N-[(1R)-1-[3-fluoro-4-(trifluoromethylsulfanyl)phenyl]propyl]-2-methyl-6-oxo-1H-pyrimidine-4-carboxamide
CID 137102401
N-[(1R)-2,2-dimethyl-1-[4-(trifluoromethylsulfanyl)phenyl]propyl]-6-oxo-2-pyrimidin-2-yl-1H-pyrimidine-4-carboxamide
CID 136982898
N-[(1R)-2,2-dimethyl-1-[4-(pentafluoro-λ6-sulfanyl)phenyl]propyl]-6-oxo-2-phenyl-1H-pyrimidine-4-carboxamide
CID 136983177
2-methyl-6-oxo-N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-pyrimidine-4-carboxamide
CID 144874262
N-[1-(4-cyclopropylphenyl)-2,2-dimethylpropyl]-2-(dimethylamino)-6-oxo-1H-pyrimidine-4-carboxamide
CID 137302194
2-cyclopropyl-N-[(1R)-1-[3-fluoro-4-(trifluoromethyl)phenyl]-2,2-dimethylpropyl]-6-oxo-1H-pyrimidine-4-carboxamide
CID 136982737
N-[(1R)-1-[2-fluoro-4-(trifluoromethyl)phenyl]ethyl]-2-methyl-6-oxo-1H-pyrimidine-4-carboxamide
CID 136982541

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2,2-dimethyl-1-[4-(2,2,2-trifluoroethyl)phenyl]propyl]-2-methyl-6-oxo-1H-pyrimidine-4-carboxamide?
The IUPAC name of N-[(1R)-2,2-dimethyl-1-[4-(2,2,2-trifluoroethyl)phenyl]propyl]-2-methyl-6-oxo-1H-pyrimidine-4-carboxamide (CID 136982952) is N-[(1R)-2,2-dimethyl-1-[4-(2,2,2-trifluoroethyl)phenyl]propyl]-2-methyl-6-oxo-1H-pyrimidine-4-carboxamide.
What is the SMILES notation for N-[(1R)-2,2-dimethyl-1-[4-(2,2,2-trifluoroethyl)phenyl]propyl]-2-methyl-6-oxo-1H-pyrimidine-4-carboxamide?
The canonical SMILES for N-[(1R)-2,2-dimethyl-1-[4-(2,2,2-trifluoroethyl)phenyl]propyl]-2-methyl-6-oxo-1H-pyrimidine-4-carboxamide is Cc1nc(C(=O)N[C@@H](c2ccc(CC(F)(F)F)cc2)C(C)(C)C)cc(=O)[nH]1.
What is the InChIKey of N-[(1R)-2,2-dimethyl-1-[4-(2,2,2-trifluoroethyl)phenyl]propyl]-2-methyl-6-oxo-1H-pyrimidine-4-carboxamide?
The InChIKey is ZZOZSSUBSSTQNH-INIZCTEOSA-N. The full InChI is InChI=1S/C19H22F3N3O2/c1-11-23-14(9-15(26)24-11)17(27)25-16(18(2,3)4)13-7-5-12(6-8-13)10-19(20,21)22/h5-9,16H,10H2,1-4H3,(H,25,27)(H,23,24,26)/t16-/m0/s1.
What are the key properties of N-[(1R)-2,2-dimethyl-1-[4-(2,2,2-trifluoroethyl)phenyl]propyl]-2-methyl-6-oxo-1H-pyrimidine-4-carboxamide?
N-[(1R)-2,2-dimethyl-1-[4-(2,2,2-trifluoroethyl)phenyl]propyl]-2-methyl-6-oxo-1H-pyrimidine-4-carboxamide has a molecular weight of 381.40 g/mol, XLogP of 3.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2,2-dimethyl-1-[4-(2,2,2-trifluoroethyl)phenyl]propyl]-2-methyl-6-oxo-1H-pyrimidine-4-carboxamide is sourced from PubChem (CID 136982952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).