4-[[5-fluoro-4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]benzamide

C18H19FN6O — CID 44563111

IUPAC4-[[5-fluoro-4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]benzamide
SMILESCc1ncc(-c2nc(Nc3ccc(C(N)=O)cc3)ncc2F)n1C(C)C
InChIInChI=1S/C18H19FN6O/c1-10(2)25-11(3)21-9-15(25)16-14(19)8-22-18(24-16)23-13-6-4-12(5-7-13)17(20)26/h4-10H,1-3H3,(H2,20,26)(H,22,23,24)
InChIKeyIVFOGWLAPYXYJV-UHFFFAOYSA-N
MW354.39 g/mol
LogP3.21
Rot. Bonds5

About 4-[[5-fluoro-4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]benzamide

4-[[5-fluoro-4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]benzamide (PubChem CID 44563111) has the molecular formula C18H19FN6O and a molecular weight of 354.39 g/mol. Its IUPAC name is 4-[[5-fluoro-4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]benzamide.

Molecular Properties

Compound Name4-[[5-fluoro-4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]benzamide
PubChem CID44563111
Molecular FormulaC18H19FN6O
Molecular Weight354.39 g/mol
Exact Mass354.16
IUPAC Name4-[[5-fluoro-4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]benzamide
SMILESCc1ncc(-c2nc(Nc3ccc(C(N)=O)cc3)ncc2F)n1C(C)C
InChIInChI=1S/C18H19FN6O/c1-10(2)25-11(3)21-9-15(25)16-14(19)8-22-18(24-16)23-13-6-4-12(5-7-13)17(20)26/h4-10H,1-3H3,(H2,20,26)(H,22,23,24)
InChIKeyIVFOGWLAPYXYJV-UHFFFAOYSA-N
XLogP3.21
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.39
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[5-fluoro-4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]benzamide?
The IUPAC name of 4-[[5-fluoro-4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]benzamide (CID 44563111) is 4-[[5-fluoro-4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]benzamide.
What is the SMILES notation for 4-[[5-fluoro-4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]benzamide?
The canonical SMILES for 4-[[5-fluoro-4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]benzamide is Cc1ncc(-c2nc(Nc3ccc(C(N)=O)cc3)ncc2F)n1C(C)C.
What is the InChIKey of 4-[[5-fluoro-4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]benzamide?
The InChIKey is IVFOGWLAPYXYJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN6O/c1-10(2)25-11(3)21-9-15(25)16-14(19)8-22-18(24-16)23-13-6-4-12(5-7-13)17(20)26/h4-10H,1-3H3,(H2,20,26)(H,22,23,24).
What are the key properties of 4-[[5-fluoro-4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]benzamide?
4-[[5-fluoro-4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]benzamide has a molecular weight of 354.39 g/mol, XLogP of 3.21, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-fluoro-4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]benzamide is sourced from PubChem (CID 44563111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).