2-methyl-6-oxo-N-[(1R)-1-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]ethyl]-1H-pyrimidine-4-carboxamide

C18H20F3N3O2 — CID 140765789

About 2-methyl-6-oxo-N-[(1R)-1-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]ethyl]-1H-pyrimidine-4-carboxamide

2-methyl-6-oxo-N-[(1R)-1-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]ethyl]-1H-pyrimidine-4-carboxamide (PubChem CID 140765789) has the molecular formula C18H20F3N3O2 and a molecular weight of 367.37 g/mol. Its IUPAC name is 2-methyl-6-oxo-N-[(1R)-1-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]ethyl]-1H-pyrimidine-4-carboxamide.

Molecular Properties

• Compound Name: 2-methyl-6-oxo-N-[(1R)-1-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]ethyl]-1H-pyrimidine-4-carboxamide
• PubChem CID: 140765789
• Molecular Formula: C18H20F3N3O2
• Molecular Weight: 367.37 g/mol
• Exact Mass: 367.15
• IUPAC Name: 2-methyl-6-oxo-N-[(1R)-1-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]ethyl]-1H-pyrimidine-4-carboxamide
• SMILES: Cc1nc(C(=O)N[C@H](C)c2ccc(C(C)(C)C(F)(F)F)cc2)cc(=O)[nH]1
• InChI: InChI=1S/C18H20F3N3O2/c1-10(22-16(26)14-9-15(25)24-11(2)23-14)12-5-7-13(8-6-12)17(3,4)18(19,20)21/h5-10H,1-4H3,(H,22,26)(H,23,24,25)/t10-/m1/s1
• InChIKey: JPJLOLDWLCPZIJ-SNVBAGLBSA-N
• XLogP: 3.41
• TPSA: 74.85 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	367.37
LogP ≤ 5	3.41
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-oxo-N-[(1R)-1-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]ethyl]-1H-pyrimidine-4-carboxamide?

The IUPAC name of 2-methyl-6-oxo-N-[(1R)-1-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]ethyl]-1H-pyrimidine-4-carboxamide (CID 140765789) is 2-methyl-6-oxo-N-[(1R)-1-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]ethyl]-1H-pyrimidine-4-carboxamide.

What is the SMILES notation for 2-methyl-6-oxo-N-[(1R)-1-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]ethyl]-1H-pyrimidine-4-carboxamide?

The canonical SMILES for 2-methyl-6-oxo-N-[(1R)-1-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]ethyl]-1H-pyrimidine-4-carboxamide is Cc1nc(C(=O)N[C@H](C)c2ccc(C(C)(C)C(F)(F)F)cc2)cc(=O)[nH]1.

What is the InChIKey of 2-methyl-6-oxo-N-[(1R)-1-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]ethyl]-1H-pyrimidine-4-carboxamide?

The InChIKey is JPJLOLDWLCPZIJ-SNVBAGLBSA-N. The full InChI is InChI=1S/C18H20F3N3O2/c1-10(22-16(26)14-9-15(25)24-11(2)23-14)12-5-7-13(8-6-12)17(3,4)18(19,20)21/h5-10H,1-4H3,(H,22,26)(H,23,24,25)/t10-/m1/s1.

What are the key properties of 2-methyl-6-oxo-N-[(1R)-1-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]ethyl]-1H-pyrimidine-4-carboxamide?

2-methyl-6-oxo-N-[(1R)-1-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]ethyl]-1H-pyrimidine-4-carboxamide has a molecular weight of 367.37 g/mol, XLogP of 3.41, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-6-oxo-N-[(1R)-1-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]ethyl]-1H-pyrimidine-4-carboxamide is sourced from PubChem (CID 140765789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).