2-amino-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-5-phenylpyrimidine-4-carboxamide;N,N-dimethylformamide

C24H23F6N5O2 — CID 159797244

About 2-amino-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-5-phenylpyrimidine-4-carboxamide;N,N-dimethylformamide

2-amino-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-5-phenylpyrimidine-4-carboxamide;N,N-dimethylformamide (PubChem CID 159797244) has the molecular formula C24H23F6N5O2 and a molecular weight of 527.47 g/mol. Its IUPAC name is 2-amino-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-5-phenylpyrimidine-4-carboxamide;N,N-dimethylformamide.

Molecular Properties

• Compound Name: 2-amino-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-5-phenylpyrimidine-4-carboxamide;N,N-dimethylformamide
• PubChem CID: 159797244
• Molecular Formula: C24H23F6N5O2
• Molecular Weight: 527.47 g/mol
• Exact Mass: 527.18
• IUPAC Name: 2-amino-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-5-phenylpyrimidine-4-carboxamide;N,N-dimethylformamide
• SMILES: CN(C)C=O.CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)c1nc(N)ncc1-c1ccccc1
• InChI: InChI=1S/C21H16F6N4O.C3H7NO/c1-31(11-12-7-14(20(22,23)24)9-15(8-12)21(25,26)27)18(32)17-16(10-29-19(28)30-17)13-5-3-2-4-6-13;1-4(2)3-5/h2-10H,11H2,1H3,(H2,28,29,30);3H,1-2H3
• InChIKey: NJIGLKRHTAAZKP-UHFFFAOYSA-N
• XLogP: 4.74
• TPSA: 92.42 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	527.47
LogP ≤ 5	4.74
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-5-phenylpyrimidine-4-carboxamide;N,N-dimethylformamide?

The IUPAC name of 2-amino-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-5-phenylpyrimidine-4-carboxamide;N,N-dimethylformamide (CID 159797244) is 2-amino-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-5-phenylpyrimidine-4-carboxamide;N,N-dimethylformamide.

What is the SMILES notation for 2-amino-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-5-phenylpyrimidine-4-carboxamide;N,N-dimethylformamide?

The canonical SMILES for 2-amino-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-5-phenylpyrimidine-4-carboxamide;N,N-dimethylformamide is CN(C)C=O.CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)c1nc(N)ncc1-c1ccccc1.

What is the InChIKey of 2-amino-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-5-phenylpyrimidine-4-carboxamide;N,N-dimethylformamide?

The InChIKey is NJIGLKRHTAAZKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F6N4O.C3H7NO/c1-31(11-12-7-14(20(22,23)24)9-15(8-12)21(25,26)27)18(32)17-16(10-29-19(28)30-17)13-5-3-2-4-6-13;1-4(2)3-5/h2-10H,11H2,1H3,(H2,28,29,30);3H,1-2H3.

What are the key properties of 2-amino-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-5-phenylpyrimidine-4-carboxamide;N,N-dimethylformamide?

2-amino-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-5-phenylpyrimidine-4-carboxamide;N,N-dimethylformamide has a molecular weight of 527.47 g/mol, XLogP of 4.74, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-5-phenylpyrimidine-4-carboxamide;N,N-dimethylformamide is sourced from PubChem (CID 159797244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).