6-N-[2-amino-6-(2-fluorophenyl)pyrimidin-4-yl]-2-(4-fluorophenyl)quinoline-4,6-diamine

C25H18F2N6 — CID 22643211

IUPAC6-N-[2-amino-6-(2-fluorophenyl)pyrimidin-4-yl]-2-(4-fluorophenyl)quinoline-4,6-diamine
SMILESNc1nc(Nc2ccc3nc(-c4ccc(F)cc4)cc(N)c3c2)cc(-c2ccccc2F)n1
InChIInChI=1S/C25H18F2N6/c26-15-7-5-14(6-8-15)22-12-20(28)18-11-16(9-10-21(18)31-22)30-24-13-23(32-25(29)33-24)17-3-1-2-4-19(17)27/h1-13H,(H2,28,31)(H3,29,30,32,33)
InChIKeyPVOWVOIGCPOLMV-UHFFFAOYSA-N
MW440.46 g/mol
LogP5.55
Rot. Bonds4

About 6-N-[2-amino-6-(2-fluorophenyl)pyrimidin-4-yl]-2-(4-fluorophenyl)quinoline-4,6-diamine

6-N-[2-amino-6-(2-fluorophenyl)pyrimidin-4-yl]-2-(4-fluorophenyl)quinoline-4,6-diamine (PubChem CID 22643211) has the molecular formula C25H18F2N6 and a molecular weight of 440.46 g/mol. Its IUPAC name is 6-N-[2-amino-6-(2-fluorophenyl)pyrimidin-4-yl]-2-(4-fluorophenyl)quinoline-4,6-diamine.

Molecular Properties

Compound Name6-N-[2-amino-6-(2-fluorophenyl)pyrimidin-4-yl]-2-(4-fluorophenyl)quinoline-4,6-diamine
PubChem CID22643211
Molecular FormulaC25H18F2N6
Molecular Weight440.46 g/mol
Exact Mass440.16
IUPAC Name6-N-[2-amino-6-(2-fluorophenyl)pyrimidin-4-yl]-2-(4-fluorophenyl)quinoline-4,6-diamine
SMILESNc1nc(Nc2ccc3nc(-c4ccc(F)cc4)cc(N)c3c2)cc(-c2ccccc2F)n1
InChIInChI=1S/C25H18F2N6/c26-15-7-5-14(6-8-15)22-12-20(28)18-11-16(9-10-21(18)31-22)30-24-13-23(32-25(29)33-24)17-3-1-2-4-19(17)27/h1-13H,(H2,28,31)(H3,29,30,32,33)
InChIKeyPVOWVOIGCPOLMV-UHFFFAOYSA-N
XLogP5.55
TPSA102.74 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.46
LogP ≤ 55.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-N-[2-amino-6-(2-fluorophenyl)pyrimidin-4-yl]-2-(4-fluorophenyl)quinoline-4,6-diamine?
The IUPAC name of 6-N-[2-amino-6-(2-fluorophenyl)pyrimidin-4-yl]-2-(4-fluorophenyl)quinoline-4,6-diamine (CID 22643211) is 6-N-[2-amino-6-(2-fluorophenyl)pyrimidin-4-yl]-2-(4-fluorophenyl)quinoline-4,6-diamine.
What is the SMILES notation for 6-N-[2-amino-6-(2-fluorophenyl)pyrimidin-4-yl]-2-(4-fluorophenyl)quinoline-4,6-diamine?
The canonical SMILES for 6-N-[2-amino-6-(2-fluorophenyl)pyrimidin-4-yl]-2-(4-fluorophenyl)quinoline-4,6-diamine is Nc1nc(Nc2ccc3nc(-c4ccc(F)cc4)cc(N)c3c2)cc(-c2ccccc2F)n1.
What is the InChIKey of 6-N-[2-amino-6-(2-fluorophenyl)pyrimidin-4-yl]-2-(4-fluorophenyl)quinoline-4,6-diamine?
The InChIKey is PVOWVOIGCPOLMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18F2N6/c26-15-7-5-14(6-8-15)22-12-20(28)18-11-16(9-10-21(18)31-22)30-24-13-23(32-25(29)33-24)17-3-1-2-4-19(17)27/h1-13H,(H2,28,31)(H3,29,30,32,33).
What are the key properties of 6-N-[2-amino-6-(2-fluorophenyl)pyrimidin-4-yl]-2-(4-fluorophenyl)quinoline-4,6-diamine?
6-N-[2-amino-6-(2-fluorophenyl)pyrimidin-4-yl]-2-(4-fluorophenyl)quinoline-4,6-diamine has a molecular weight of 440.46 g/mol, XLogP of 5.55, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[2-amino-6-(2-fluorophenyl)pyrimidin-4-yl]-2-(4-fluorophenyl)quinoline-4,6-diamine is sourced from PubChem (CID 22643211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).