4-fluoro-N-methyl-3-(6-phenylimidazo[1,2-a]pyrimidin-2-yl)aniline

C19H15FN4 — CID 144718172

IUPAC4-fluoro-N-methyl-3-(6-phenylimidazo[1,2-a]pyrimidin-2-yl)aniline
SMILESCNc1ccc(F)c(-c2cn3cc(-c4ccccc4)cnc3n2)c1
InChIInChI=1S/C19H15FN4/c1-21-15-7-8-17(20)16(9-15)18-12-24-11-14(10-22-19(24)23-18)13-5-3-2-4-6-13/h2-12,21H,1H3
InChIKeyHRYHLURULPORMV-UHFFFAOYSA-N
MW318.36 g/mol
LogP4.24
Rot. Bonds3

About 4-fluoro-N-methyl-3-(6-phenylimidazo[1,2-a]pyrimidin-2-yl)aniline

4-fluoro-N-methyl-3-(6-phenylimidazo[1,2-a]pyrimidin-2-yl)aniline (PubChem CID 144718172) has the molecular formula C19H15FN4 and a molecular weight of 318.36 g/mol. Its IUPAC name is 4-fluoro-N-methyl-3-(6-phenylimidazo[1,2-a]pyrimidin-2-yl)aniline.

Molecular Properties

Compound Name4-fluoro-N-methyl-3-(6-phenylimidazo[1,2-a]pyrimidin-2-yl)aniline
PubChem CID144718172
Molecular FormulaC19H15FN4
Molecular Weight318.36 g/mol
Exact Mass318.13
IUPAC Name4-fluoro-N-methyl-3-(6-phenylimidazo[1,2-a]pyrimidin-2-yl)aniline
SMILESCNc1ccc(F)c(-c2cn3cc(-c4ccccc4)cnc3n2)c1
InChIInChI=1S/C19H15FN4/c1-21-15-7-8-17(20)16(9-15)18-12-24-11-14(10-22-19(24)23-18)13-5-3-2-4-6-13/h2-12,21H,1H3
InChIKeyHRYHLURULPORMV-UHFFFAOYSA-N
XLogP4.24
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.36
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-N-methyl-3-(6-pyrazin-2-ylimidazo[1,2-a]pyrimidin-2-yl)aniline
CID 144718108
4-fluoro-N-methyl-3-[6-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)imidazo[1,2-a]pyrimidin-2-yl]aniline
CID 144718037
acetaldehyde;3-[6-(3,6-dihydro-2H-pyran-4-yl)imidazo[1,2-a]pyrimidin-2-yl]-4-fluoro-N-methylaniline
CID 144718161
4-fluoro-3-(6-pyridin-2-ylimidazo[1,2-a]pyrimidin-2-yl)aniline;hydrochloride
CID 118875275
2-(2-fluoro-5-methylphenyl)-6-(5-fluoro-3-methyl-2-pyridinyl)imidazo[1,2-a]pyrimidine
CID 144718157
N-[4-chloro-3-[6-[4-(methylamino)phenyl]imidazo[1,2-a]pyrimidin-2-yl]phenyl]pyrrolidine-1-carboxamide
CID 86296948
3-fluoro-N-[4-fluoro-3-(6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)phenyl]-3-methylazetidine-1-carboxamide
CID 121257190
N-[4-fluoro-3-(6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)phenyl]-2-methyl-1,3-oxazole-5-carboxamide
CID 118162622
N-[4-fluoro-3-[6-(3-methylimidazol-4-yl)imidazo[1,2-a]pyrimidin-2-yl]phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 118875238
4-fluoro-3-(3-fluorophenyl)-N-methylaniline
CID 138653401
N-[3-[6-(3,6-dihydro-2H-pyran-4-yl)imidazo[1,2-a]pyrimidin-2-yl]-4-fluorophenyl]-2-methyl-1,3-oxazole-5-carboxamide
CID 118875214
(3R)-3-fluoro-N-[4-fluoro-3-(6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)phenyl]pyrrolidine-1-carboxamide
CID 118162646

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-methyl-3-(6-phenylimidazo[1,2-a]pyrimidin-2-yl)aniline?
The IUPAC name of 4-fluoro-N-methyl-3-(6-phenylimidazo[1,2-a]pyrimidin-2-yl)aniline (CID 144718172) is 4-fluoro-N-methyl-3-(6-phenylimidazo[1,2-a]pyrimidin-2-yl)aniline.
What is the SMILES notation for 4-fluoro-N-methyl-3-(6-phenylimidazo[1,2-a]pyrimidin-2-yl)aniline?
The canonical SMILES for 4-fluoro-N-methyl-3-(6-phenylimidazo[1,2-a]pyrimidin-2-yl)aniline is CNc1ccc(F)c(-c2cn3cc(-c4ccccc4)cnc3n2)c1.
What is the InChIKey of 4-fluoro-N-methyl-3-(6-phenylimidazo[1,2-a]pyrimidin-2-yl)aniline?
The InChIKey is HRYHLURULPORMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN4/c1-21-15-7-8-17(20)16(9-15)18-12-24-11-14(10-22-19(24)23-18)13-5-3-2-4-6-13/h2-12,21H,1H3.
What are the key properties of 4-fluoro-N-methyl-3-(6-phenylimidazo[1,2-a]pyrimidin-2-yl)aniline?
4-fluoro-N-methyl-3-(6-phenylimidazo[1,2-a]pyrimidin-2-yl)aniline has a molecular weight of 318.36 g/mol, XLogP of 4.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-methyl-3-(6-phenylimidazo[1,2-a]pyrimidin-2-yl)aniline is sourced from PubChem (CID 144718172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).