4-[5-(4-fluorophenyl)-3-quinolin-3-ylimidazol-4-yl]pyrimidin-2-amine

C22H15FN6 — CID 174293805

IUPAC4-[5-(4-fluorophenyl)-3-quinolin-3-ylimidazol-4-yl]pyrimidin-2-amine
SMILESNc1nccc(-c2c(-c3ccc(F)cc3)ncn2-c2cnc3ccccc3c2)n1
InChIInChI=1S/C22H15FN6/c23-16-7-5-14(6-8-16)20-21(19-9-10-25-22(24)28-19)29(13-27-20)17-11-15-3-1-2-4-18(15)26-12-17/h1-13H,(H2,24,25,28)
InChIKeyKWSWVIHIBXWFLY-UHFFFAOYSA-N
MW382.40 g/mol
LogP4.27
Rot. Bonds3

About 4-[5-(4-fluorophenyl)-3-quinolin-3-ylimidazol-4-yl]pyrimidin-2-amine

4-[5-(4-fluorophenyl)-3-quinolin-3-ylimidazol-4-yl]pyrimidin-2-amine (PubChem CID 174293805) has the molecular formula C22H15FN6 and a molecular weight of 382.40 g/mol. Its IUPAC name is 4-[5-(4-fluorophenyl)-3-quinolin-3-ylimidazol-4-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[5-(4-fluorophenyl)-3-quinolin-3-ylimidazol-4-yl]pyrimidin-2-amine
PubChem CID174293805
Molecular FormulaC22H15FN6
Molecular Weight382.40 g/mol
Exact Mass382.13
IUPAC Name4-[5-(4-fluorophenyl)-3-quinolin-3-ylimidazol-4-yl]pyrimidin-2-amine
SMILESNc1nccc(-c2c(-c3ccc(F)cc3)ncn2-c2cnc3ccccc3c2)n1
InChIInChI=1S/C22H15FN6/c23-16-7-5-14(6-8-16)20-21(19-9-10-25-22(24)28-19)29(13-27-20)17-11-15-3-1-2-4-18(15)26-12-17/h1-13H,(H2,24,25,28)
InChIKeyKWSWVIHIBXWFLY-UHFFFAOYSA-N
XLogP4.27
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.40
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-fluorophenyl)-3-quinolin-3-ylimidazol-4-yl]pyrimidin-2-amine?
The IUPAC name of 4-[5-(4-fluorophenyl)-3-quinolin-3-ylimidazol-4-yl]pyrimidin-2-amine (CID 174293805) is 4-[5-(4-fluorophenyl)-3-quinolin-3-ylimidazol-4-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-[5-(4-fluorophenyl)-3-quinolin-3-ylimidazol-4-yl]pyrimidin-2-amine?
The canonical SMILES for 4-[5-(4-fluorophenyl)-3-quinolin-3-ylimidazol-4-yl]pyrimidin-2-amine is Nc1nccc(-c2c(-c3ccc(F)cc3)ncn2-c2cnc3ccccc3c2)n1.
What is the InChIKey of 4-[5-(4-fluorophenyl)-3-quinolin-3-ylimidazol-4-yl]pyrimidin-2-amine?
The InChIKey is KWSWVIHIBXWFLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15FN6/c23-16-7-5-14(6-8-16)20-21(19-9-10-25-22(24)28-19)29(13-27-20)17-11-15-3-1-2-4-18(15)26-12-17/h1-13H,(H2,24,25,28).
What are the key properties of 4-[5-(4-fluorophenyl)-3-quinolin-3-ylimidazol-4-yl]pyrimidin-2-amine?
4-[5-(4-fluorophenyl)-3-quinolin-3-ylimidazol-4-yl]pyrimidin-2-amine has a molecular weight of 382.40 g/mol, XLogP of 4.27, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-fluorophenyl)-3-quinolin-3-ylimidazol-4-yl]pyrimidin-2-amine is sourced from PubChem (CID 174293805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).