6-dimethylphosphoryl-2-methyl-4-N-[1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]-7-N-propan-2-ylquinazoline-4,7-diamine

C24H30F3N4OP — CID 175261907

About 6-dimethylphosphoryl-2-methyl-4-N-[1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]-7-N-propan-2-ylquinazoline-4,7-diamine

6-dimethylphosphoryl-2-methyl-4-N-[1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]-7-N-propan-2-ylquinazoline-4,7-diamine (PubChem CID 175261907) has the molecular formula C24H30F3N4OP and a molecular weight of 478.50 g/mol. Its IUPAC name is 6-dimethylphosphoryl-2-methyl-4-N-[1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]-7-N-propan-2-ylquinazoline-4,7-diamine.

Molecular Properties

• Compound Name: 6-dimethylphosphoryl-2-methyl-4-N-[1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]-7-N-propan-2-ylquinazoline-4,7-diamine
• PubChem CID: 175261907
• Molecular Formula: C24H30F3N4OP
• Molecular Weight: 478.50 g/mol
• Exact Mass: 478.21
• IUPAC Name: 6-dimethylphosphoryl-2-methyl-4-N-[1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]-7-N-propan-2-ylquinazoline-4,7-diamine
• SMILES: Cc1nc(NC(C)c2cccc(C(F)(F)F)c2C)c2cc(P(C)(C)=O)c(NC(C)C)cc2n1
• InChI: InChI=1S/C24H30F3N4OP/c1-13(2)28-21-12-20-18(11-22(21)33(6,7)32)23(31-16(5)30-20)29-15(4)17-9-8-10-19(14(17)3)24(25,26)27/h8-13,15,28H,1-7H3,(H,29,30,31)
• InChIKey: KZPYJBUGGJJKEH-UHFFFAOYSA-N
• XLogP: 6.51
• TPSA: 66.91 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	478.50
LogP ≤ 5	6.51
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-dimethylphosphoryl-2-methyl-4-N-[1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]-7-N-propan-2-ylquinazoline-4,7-diamine?

The IUPAC name of 6-dimethylphosphoryl-2-methyl-4-N-[1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]-7-N-propan-2-ylquinazoline-4,7-diamine (CID 175261907) is 6-dimethylphosphoryl-2-methyl-4-N-[1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]-7-N-propan-2-ylquinazoline-4,7-diamine.

What is the SMILES notation for 6-dimethylphosphoryl-2-methyl-4-N-[1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]-7-N-propan-2-ylquinazoline-4,7-diamine?

The canonical SMILES for 6-dimethylphosphoryl-2-methyl-4-N-[1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]-7-N-propan-2-ylquinazoline-4,7-diamine is Cc1nc(NC(C)c2cccc(C(F)(F)F)c2C)c2cc(P(C)(C)=O)c(NC(C)C)cc2n1.

What is the InChIKey of 6-dimethylphosphoryl-2-methyl-4-N-[1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]-7-N-propan-2-ylquinazoline-4,7-diamine?

The InChIKey is KZPYJBUGGJJKEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30F3N4OP/c1-13(2)28-21-12-20-18(11-22(21)33(6,7)32)23(31-16(5)30-20)29-15(4)17-9-8-10-19(14(17)3)24(25,26)27/h8-13,15,28H,1-7H3,(H,29,30,31).

What are the key properties of 6-dimethylphosphoryl-2-methyl-4-N-[1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]-7-N-propan-2-ylquinazoline-4,7-diamine?

6-dimethylphosphoryl-2-methyl-4-N-[1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]-7-N-propan-2-ylquinazoline-4,7-diamine has a molecular weight of 478.50 g/mol, XLogP of 6.51, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-dimethylphosphoryl-2-methyl-4-N-[1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]-7-N-propan-2-ylquinazoline-4,7-diamine is sourced from PubChem (CID 175261907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).