2-(dimethylamino)-N-[(1R)-1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-methylpropyl]-6-oxo-1H-pyrimidine-4-carboxamide

C18H20F4N4O3 — CID 137162874

About 2-(dimethylamino)-N-[(1R)-1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-methylpropyl]-6-oxo-1H-pyrimidine-4-carboxamide

2-(dimethylamino)-N-[(1R)-1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-methylpropyl]-6-oxo-1H-pyrimidine-4-carboxamide (PubChem CID 137162874) has the molecular formula C18H20F4N4O3 and a molecular weight of 416.38 g/mol. Its IUPAC name is 2-(dimethylamino)-N-[(1R)-1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-methylpropyl]-6-oxo-1H-pyrimidine-4-carboxamide.

Molecular Properties

• Compound Name: 2-(dimethylamino)-N-[(1R)-1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-methylpropyl]-6-oxo-1H-pyrimidine-4-carboxamide
• PubChem CID: 137162874
• Molecular Formula: C18H20F4N4O3
• Molecular Weight: 416.38 g/mol
• Exact Mass: 416.15
• IUPAC Name: 2-(dimethylamino)-N-[(1R)-1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-methylpropyl]-6-oxo-1H-pyrimidine-4-carboxamide
• SMILES: CC(C)[C@@H](NC(=O)c1cc(=O)[nH]c(N(C)C)n1)c1ccc(OC(F)(F)F)c(F)c1
• InChI: InChI=1S/C18H20F4N4O3/c1-9(2)15(10-5-6-13(11(19)7-10)29-18(20,21)22)25-16(28)12-8-14(27)24-17(23-12)26(3)4/h5-9,15H,1-4H3,(H,25,28)(H,23,24,27)/t15-/m1/s1
• InChIKey: NCJYQJPZQFXPRZ-OAHLLOKOSA-N
• XLogP: 3.00
• TPSA: 87.32 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	416.38
LogP ≤ 5	3.00
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-N-[(1R)-1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-methylpropyl]-6-oxo-1H-pyrimidine-4-carboxamide?

The IUPAC name of 2-(dimethylamino)-N-[(1R)-1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-methylpropyl]-6-oxo-1H-pyrimidine-4-carboxamide (CID 137162874) is 2-(dimethylamino)-N-[(1R)-1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-methylpropyl]-6-oxo-1H-pyrimidine-4-carboxamide.

What is the SMILES notation for 2-(dimethylamino)-N-[(1R)-1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-methylpropyl]-6-oxo-1H-pyrimidine-4-carboxamide?

The canonical SMILES for 2-(dimethylamino)-N-[(1R)-1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-methylpropyl]-6-oxo-1H-pyrimidine-4-carboxamide is CC(C)[C@@H](NC(=O)c1cc(=O)[nH]c(N(C)C)n1)c1ccc(OC(F)(F)F)c(F)c1.

What is the InChIKey of 2-(dimethylamino)-N-[(1R)-1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-methylpropyl]-6-oxo-1H-pyrimidine-4-carboxamide?

The InChIKey is NCJYQJPZQFXPRZ-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H20F4N4O3/c1-9(2)15(10-5-6-13(11(19)7-10)29-18(20,21)22)25-16(28)12-8-14(27)24-17(23-12)26(3)4/h5-9,15H,1-4H3,(H,25,28)(H,23,24,27)/t15-/m1/s1.

What are the key properties of 2-(dimethylamino)-N-[(1R)-1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-methylpropyl]-6-oxo-1H-pyrimidine-4-carboxamide?

2-(dimethylamino)-N-[(1R)-1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-methylpropyl]-6-oxo-1H-pyrimidine-4-carboxamide has a molecular weight of 416.38 g/mol, XLogP of 3.00, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(dimethylamino)-N-[(1R)-1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-methylpropyl]-6-oxo-1H-pyrimidine-4-carboxamide is sourced from PubChem (CID 137162874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).