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

C23H24FN6P — CID 175621435

IUPAC3-[amino(quinolin-6-ylmethyl)amino]-5-[(4-dimethylphosphanyl-3-fluorophenyl)methyl]pyrazin-2-amine
SMILESCP(C)c1ccc(Cc2cnc(N)c(N(N)Cc3ccc4ncccc4c3)n2)cc1F
InChIInChI=1S/C23H24FN6P/c1-31(2)21-8-6-15(12-19(21)24)11-18-13-28-22(25)23(29-18)30(26)14-16-5-7-20-17(10-16)4-3-9-27-20/h3-10,12-13H,11,14,26H2,1-2H3,(H2,25,28)
InChIKeyDMZJNNWLXXBRKU-UHFFFAOYSA-N
MW434.46 g/mol
LogP3.58
Rot. Bonds6

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

3-[amino(quinolin-6-ylmethyl)amino]-5-[(4-dimethylphosphanyl-3-fluorophenyl)methyl]pyrazin-2-amine (PubChem CID 175621435) has the molecular formula C23H24FN6P and a molecular weight of 434.46 g/mol. Its IUPAC name is 3-[amino(quinolin-6-ylmethyl)amino]-5-[(4-dimethylphosphanyl-3-fluorophenyl)methyl]pyrazin-2-amine.

Molecular Properties

Compound Name3-[amino(quinolin-6-ylmethyl)amino]-5-[(4-dimethylphosphanyl-3-fluorophenyl)methyl]pyrazin-2-amine
PubChem CID175621435
Molecular FormulaC23H24FN6P
Molecular Weight434.46 g/mol
Exact Mass434.18
IUPAC Name3-[amino(quinolin-6-ylmethyl)amino]-5-[(4-dimethylphosphanyl-3-fluorophenyl)methyl]pyrazin-2-amine
SMILESCP(C)c1ccc(Cc2cnc(N)c(N(N)Cc3ccc4ncccc4c3)n2)cc1F
InChIInChI=1S/C23H24FN6P/c1-31(2)21-8-6-15(12-19(21)24)11-18-13-28-22(25)23(29-18)30(26)14-16-5-7-20-17(10-16)4-3-9-27-20/h3-10,12-13H,11,14,26H2,1-2H3,(H2,25,28)
InChIKeyDMZJNNWLXXBRKU-UHFFFAOYSA-N
XLogP3.58
TPSA93.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.46
LogP ≤ 53.58
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(quinolin-6-ylmethyl)amino]-5-[(4-dimethylphosphanyl-3-fluorophenyl)methyl]pyrazin-2-amine?
The IUPAC name of 3-[amino(quinolin-6-ylmethyl)amino]-5-[(4-dimethylphosphanyl-3-fluorophenyl)methyl]pyrazin-2-amine (CID 175621435) is 3-[amino(quinolin-6-ylmethyl)amino]-5-[(4-dimethylphosphanyl-3-fluorophenyl)methyl]pyrazin-2-amine.
What is the SMILES notation for 3-[amino(quinolin-6-ylmethyl)amino]-5-[(4-dimethylphosphanyl-3-fluorophenyl)methyl]pyrazin-2-amine?
The canonical SMILES for 3-[amino(quinolin-6-ylmethyl)amino]-5-[(4-dimethylphosphanyl-3-fluorophenyl)methyl]pyrazin-2-amine is CP(C)c1ccc(Cc2cnc(N)c(N(N)Cc3ccc4ncccc4c3)n2)cc1F.
What is the InChIKey of 3-[amino(quinolin-6-ylmethyl)amino]-5-[(4-dimethylphosphanyl-3-fluorophenyl)methyl]pyrazin-2-amine?
The InChIKey is DMZJNNWLXXBRKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN6P/c1-31(2)21-8-6-15(12-19(21)24)11-18-13-28-22(25)23(29-18)30(26)14-16-5-7-20-17(10-16)4-3-9-27-20/h3-10,12-13H,11,14,26H2,1-2H3,(H2,25,28).
What are the key properties of 3-[amino(quinolin-6-ylmethyl)amino]-5-[(4-dimethylphosphanyl-3-fluorophenyl)methyl]pyrazin-2-amine?
3-[amino(quinolin-6-ylmethyl)amino]-5-[(4-dimethylphosphanyl-3-fluorophenyl)methyl]pyrazin-2-amine has a molecular weight of 434.46 g/mol, XLogP of 3.58, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[amino(quinolin-6-ylmethyl)amino]-5-[(4-dimethylphosphanyl-3-fluorophenyl)methyl]pyrazin-2-amine is sourced from PubChem (CID 175621435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).