3-[amino(2-quinolin-6-ylpropan-2-yl)amino]-5-(4-dimethylphosphanyl-3-fluorophenyl)pyrazin-2-amine

C24H26FN6P — CID 175621820

IUPAC3-[amino(2-quinolin-6-ylpropan-2-yl)amino]-5-(4-dimethylphosphanyl-3-fluorophenyl)pyrazin-2-amine
SMILESCP(C)c1ccc(-c2cnc(N)c(N(N)C(C)(C)c3ccc4ncccc4c3)n2)cc1F
InChIInChI=1S/C24H26FN6P/c1-24(2,17-8-9-19-15(12-17)6-5-11-28-19)31(27)23-22(26)29-14-20(30-23)16-7-10-21(32(3)4)18(25)13-16/h5-14H,27H2,1-4H3,(H2,26,29)
InChIKeyRUPXHPKUIUHNSW-UHFFFAOYSA-N
MW448.49 g/mol
LogP4.40
Rot. Bonds5

About 3-[amino(2-quinolin-6-ylpropan-2-yl)amino]-5-(4-dimethylphosphanyl-3-fluorophenyl)pyrazin-2-amine

3-[amino(2-quinolin-6-ylpropan-2-yl)amino]-5-(4-dimethylphosphanyl-3-fluorophenyl)pyrazin-2-amine (PubChem CID 175621820) has the molecular formula C24H26FN6P and a molecular weight of 448.49 g/mol. Its IUPAC name is 3-[amino(2-quinolin-6-ylpropan-2-yl)amino]-5-(4-dimethylphosphanyl-3-fluorophenyl)pyrazin-2-amine.

Molecular Properties

Compound Name3-[amino(2-quinolin-6-ylpropan-2-yl)amino]-5-(4-dimethylphosphanyl-3-fluorophenyl)pyrazin-2-amine
PubChem CID175621820
Molecular FormulaC24H26FN6P
Molecular Weight448.49 g/mol
Exact Mass448.19
IUPAC Name3-[amino(2-quinolin-6-ylpropan-2-yl)amino]-5-(4-dimethylphosphanyl-3-fluorophenyl)pyrazin-2-amine
SMILESCP(C)c1ccc(-c2cnc(N)c(N(N)C(C)(C)c3ccc4ncccc4c3)n2)cc1F
InChIInChI=1S/C24H26FN6P/c1-24(2,17-8-9-19-15(12-17)6-5-11-28-19)31(27)23-22(26)29-14-20(30-23)16-7-10-21(32(3)4)18(25)13-16/h5-14H,27H2,1-4H3,(H2,26,29)
InChIKeyRUPXHPKUIUHNSW-UHFFFAOYSA-N
XLogP4.40
TPSA93.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.49
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[amino(2-quinolin-6-ylpropan-2-yl)amino]-5-(4-dimethylphosphanyl-3-fluorophenyl)pyrazin-2-amine?
The IUPAC name of 3-[amino(2-quinolin-6-ylpropan-2-yl)amino]-5-(4-dimethylphosphanyl-3-fluorophenyl)pyrazin-2-amine (CID 175621820) is 3-[amino(2-quinolin-6-ylpropan-2-yl)amino]-5-(4-dimethylphosphanyl-3-fluorophenyl)pyrazin-2-amine.
What is the SMILES notation for 3-[amino(2-quinolin-6-ylpropan-2-yl)amino]-5-(4-dimethylphosphanyl-3-fluorophenyl)pyrazin-2-amine?
The canonical SMILES for 3-[amino(2-quinolin-6-ylpropan-2-yl)amino]-5-(4-dimethylphosphanyl-3-fluorophenyl)pyrazin-2-amine is CP(C)c1ccc(-c2cnc(N)c(N(N)C(C)(C)c3ccc4ncccc4c3)n2)cc1F.
What is the InChIKey of 3-[amino(2-quinolin-6-ylpropan-2-yl)amino]-5-(4-dimethylphosphanyl-3-fluorophenyl)pyrazin-2-amine?
The InChIKey is RUPXHPKUIUHNSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN6P/c1-24(2,17-8-9-19-15(12-17)6-5-11-28-19)31(27)23-22(26)29-14-20(30-23)16-7-10-21(32(3)4)18(25)13-16/h5-14H,27H2,1-4H3,(H2,26,29).
What are the key properties of 3-[amino(2-quinolin-6-ylpropan-2-yl)amino]-5-(4-dimethylphosphanyl-3-fluorophenyl)pyrazin-2-amine?
3-[amino(2-quinolin-6-ylpropan-2-yl)amino]-5-(4-dimethylphosphanyl-3-fluorophenyl)pyrazin-2-amine has a molecular weight of 448.49 g/mol, XLogP of 4.40, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[amino(2-quinolin-6-ylpropan-2-yl)amino]-5-(4-dimethylphosphanyl-3-fluorophenyl)pyrazin-2-amine is sourced from PubChem (CID 175621820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).