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

C18H20F4N4O4 — CID 137302195

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

2-(dimethylamino)-N-[1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-hydroxy-2-methylpropyl]-6-oxo-1H-pyrimidine-4-carboxamide (PubChem CID 137302195) has the molecular formula C18H20F4N4O4 and a molecular weight of 432.37 g/mol. Its IUPAC name is 2-(dimethylamino)-N-[1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-hydroxy-2-methylpropyl]-6-oxo-1H-pyrimidine-4-carboxamide.

Molecular Properties

• Compound Name: 2-(dimethylamino)-N-[1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-hydroxy-2-methylpropyl]-6-oxo-1H-pyrimidine-4-carboxamide
• PubChem CID: 137302195
• Molecular Formula: C18H20F4N4O4
• Molecular Weight: 432.37 g/mol
• Exact Mass: 432.14
• IUPAC Name: 2-(dimethylamino)-N-[1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-hydroxy-2-methylpropyl]-6-oxo-1H-pyrimidine-4-carboxamide
• SMILES: CN(C)c1nc(C(=O)NC(c2ccc(OC(F)(F)F)c(F)c2)C(C)(C)O)cc(=O)[nH]1
• InChI: InChI=1S/C18H20F4N4O4/c1-17(2,29)14(9-5-6-12(10(19)7-9)30-18(20,21)22)25-15(28)11-8-13(27)24-16(23-11)26(3)4/h5-8,14,29H,1-4H3,(H,25,28)(H,23,24,27)
• InChIKey: GWQLRIDPAHFRET-UHFFFAOYSA-N
• XLogP: 2.12
• TPSA: 107.55 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	432.37
LogP ≤ 5	2.12
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 2-(dimethylamino)-N-[1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-hydroxy-2-methylpropyl]-6-oxo-1H-pyrimidine-4-carboxamide (CID 137302195) is 2-(dimethylamino)-N-[1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-hydroxy-2-methylpropyl]-6-oxo-1H-pyrimidine-4-carboxamide.

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

The canonical SMILES for 2-(dimethylamino)-N-[1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-hydroxy-2-methylpropyl]-6-oxo-1H-pyrimidine-4-carboxamide is CN(C)c1nc(C(=O)NC(c2ccc(OC(F)(F)F)c(F)c2)C(C)(C)O)cc(=O)[nH]1.

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

The InChIKey is GWQLRIDPAHFRET-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F4N4O4/c1-17(2,29)14(9-5-6-12(10(19)7-9)30-18(20,21)22)25-15(28)11-8-13(27)24-16(23-11)26(3)4/h5-8,14,29H,1-4H3,(H,25,28)(H,23,24,27).

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

2-(dimethylamino)-N-[1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-hydroxy-2-methylpropyl]-6-oxo-1H-pyrimidine-4-carboxamide has a molecular weight of 432.37 g/mol, XLogP of 2.12, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(dimethylamino)-N-[1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-hydroxy-2-methylpropyl]-6-oxo-1H-pyrimidine-4-carboxamide is sourced from PubChem (CID 137302195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).