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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Related Compounds

4-[3-(1-benzyl-2,3-dihydropyrrol-4-yl)-5-(4-fluorophenyl)imidazol-4-yl]pyrimidin-2-amine
CID 22464163
3-[4-(4-fluorophenyl)phenyl]quinoline
CID 171056588
5-(2-aminopyrimidin-4-yl)-4-(4-fluorophenyl)pyrimidin-2-amine
CID 67983118
4-[3-[(4,4-difluorocyclohexyl)methyl]-5-(4-fluorophenyl)imidazol-4-yl]pyrimidin-2-amine
CID 146914722
6-[5-(2-aminopyrimidin-4-yl)-4-(4-fluorophenyl)imidazol-1-yl]-4-sulfonylpyran-2,3,5-trisulfinic acid
CID 57132637
4-[2-(4-fluorophenyl)-3-pyridinyl]pyrimidin-2-amine
CID 10220968
4-[3-(4-fluorophenyl)-1-propan-2-ylpyrazol-4-yl]pyrimidin-2-amine
CID 67073877
6-[5-(4-fluorophenyl)-3-pyridin-3-ylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-amine
CID 90240365
4-[(5S)-5-[(3-chloroquinolin-2-yl)oxymethyl]-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine
CID 142175884
3-[5-[6-(4-fluorophenyl)naphthalen-2-yl]-2-pyridinyl]quinoline
CID 169293981
4-[2-(4-fluorophenyl)-5-(indol-1-ylmethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine
CID 71137521
4-quinolin-3-yl-1H-1,2,4-triazole-5-thione
CID 62781146

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).