N-[(1R)-1-[2-fluoro-4-(trifluoromethyl)phenyl]-2,2-dimethylpropyl]-2-methyl-6-oxo-1H-pyrimidine-4-carboxamide

C18H19F4N3O2 — CID 136982645

About N-[(1R)-1-[2-fluoro-4-(trifluoromethyl)phenyl]-2,2-dimethylpropyl]-2-methyl-6-oxo-1H-pyrimidine-4-carboxamide

N-[(1R)-1-[2-fluoro-4-(trifluoromethyl)phenyl]-2,2-dimethylpropyl]-2-methyl-6-oxo-1H-pyrimidine-4-carboxamide (PubChem CID 136982645) has the molecular formula C18H19F4N3O2 and a molecular weight of 385.36 g/mol. Its IUPAC name is N-[(1R)-1-[2-fluoro-4-(trifluoromethyl)phenyl]-2,2-dimethylpropyl]-2-methyl-6-oxo-1H-pyrimidine-4-carboxamide.

Molecular Properties

• Compound Name: N-[(1R)-1-[2-fluoro-4-(trifluoromethyl)phenyl]-2,2-dimethylpropyl]-2-methyl-6-oxo-1H-pyrimidine-4-carboxamide
• PubChem CID: 136982645
• Molecular Formula: C18H19F4N3O2
• Molecular Weight: 385.36 g/mol
• Exact Mass: 385.14
• IUPAC Name: N-[(1R)-1-[2-fluoro-4-(trifluoromethyl)phenyl]-2,2-dimethylpropyl]-2-methyl-6-oxo-1H-pyrimidine-4-carboxamide
• SMILES: Cc1nc(C(=O)N[C@@H](c2ccc(C(F)(F)F)cc2F)C(C)(C)C)cc(=O)[nH]1
• InChI: InChI=1S/C18H19F4N3O2/c1-9-23-13(8-14(26)24-9)16(27)25-15(17(2,3)4)11-6-5-10(7-12(11)19)18(20,21)22/h5-8,15H,1-4H3,(H,25,27)(H,23,24,26)/t15-/m0/s1
• InChIKey: NSQIMJJCJWQAIZ-HNNXBMFYSA-N
• XLogP: 3.75
• TPSA: 74.85 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	385.36
LogP ≤ 5	3.75
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[2-fluoro-4-(trifluoromethyl)phenyl]-2,2-dimethylpropyl]-2-methyl-6-oxo-1H-pyrimidine-4-carboxamide?

The IUPAC name of N-[(1R)-1-[2-fluoro-4-(trifluoromethyl)phenyl]-2,2-dimethylpropyl]-2-methyl-6-oxo-1H-pyrimidine-4-carboxamide (CID 136982645) is N-[(1R)-1-[2-fluoro-4-(trifluoromethyl)phenyl]-2,2-dimethylpropyl]-2-methyl-6-oxo-1H-pyrimidine-4-carboxamide.

What is the SMILES notation for N-[(1R)-1-[2-fluoro-4-(trifluoromethyl)phenyl]-2,2-dimethylpropyl]-2-methyl-6-oxo-1H-pyrimidine-4-carboxamide?

The canonical SMILES for N-[(1R)-1-[2-fluoro-4-(trifluoromethyl)phenyl]-2,2-dimethylpropyl]-2-methyl-6-oxo-1H-pyrimidine-4-carboxamide is Cc1nc(C(=O)N[C@@H](c2ccc(C(F)(F)F)cc2F)C(C)(C)C)cc(=O)[nH]1.

What is the InChIKey of N-[(1R)-1-[2-fluoro-4-(trifluoromethyl)phenyl]-2,2-dimethylpropyl]-2-methyl-6-oxo-1H-pyrimidine-4-carboxamide?

The InChIKey is NSQIMJJCJWQAIZ-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H19F4N3O2/c1-9-23-13(8-14(26)24-9)16(27)25-15(17(2,3)4)11-6-5-10(7-12(11)19)18(20,21)22/h5-8,15H,1-4H3,(H,25,27)(H,23,24,26)/t15-/m0/s1.

What are the key properties of N-[(1R)-1-[2-fluoro-4-(trifluoromethyl)phenyl]-2,2-dimethylpropyl]-2-methyl-6-oxo-1H-pyrimidine-4-carboxamide?

N-[(1R)-1-[2-fluoro-4-(trifluoromethyl)phenyl]-2,2-dimethylpropyl]-2-methyl-6-oxo-1H-pyrimidine-4-carboxamide has a molecular weight of 385.36 g/mol, XLogP of 3.75, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1R)-1-[2-fluoro-4-(trifluoromethyl)phenyl]-2,2-dimethylpropyl]-2-methyl-6-oxo-1H-pyrimidine-4-carboxamide is sourced from PubChem (CID 136982645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).