4-[2-[[2-(4-fluorophenyl)-2-methylpropyl]amino]pyrimidin-5-yl]benzamide

C21H21FN4O — CID 54591637

IUPAC4-[2-[[2-(4-fluorophenyl)-2-methylpropyl]amino]pyrimidin-5-yl]benzamide
SMILESCC(C)(CNc1ncc(-c2ccc(C(N)=O)cc2)cn1)c1ccc(F)cc1
InChIInChI=1S/C21H21FN4O/c1-21(2,17-7-9-18(22)10-8-17)13-26-20-24-11-16(12-25-20)14-3-5-15(6-4-14)19(23)27/h3-12H,13H2,1-2H3,(H2,23,27)(H,24,25,26)
InChIKeyLQYSCRXCPSPMGQ-UHFFFAOYSA-N
MW364.42 g/mol
LogP3.77
Rot. Bonds6

About 4-[2-[[2-(4-fluorophenyl)-2-methylpropyl]amino]pyrimidin-5-yl]benzamide

4-[2-[[2-(4-fluorophenyl)-2-methylpropyl]amino]pyrimidin-5-yl]benzamide (PubChem CID 54591637) has the molecular formula C21H21FN4O and a molecular weight of 364.42 g/mol. Its IUPAC name is 4-[2-[[2-(4-fluorophenyl)-2-methylpropyl]amino]pyrimidin-5-yl]benzamide.

Molecular Properties

Compound Name4-[2-[[2-(4-fluorophenyl)-2-methylpropyl]amino]pyrimidin-5-yl]benzamide
PubChem CID54591637
Molecular FormulaC21H21FN4O
Molecular Weight364.42 g/mol
Exact Mass364.17
IUPAC Name4-[2-[[2-(4-fluorophenyl)-2-methylpropyl]amino]pyrimidin-5-yl]benzamide
SMILESCC(C)(CNc1ncc(-c2ccc(C(N)=O)cc2)cn1)c1ccc(F)cc1
InChIInChI=1S/C21H21FN4O/c1-21(2,17-7-9-18(22)10-8-17)13-26-20-24-11-16(12-25-20)14-3-5-15(6-4-14)19(23)27/h3-12H,13H2,1-2H3,(H2,23,27)(H,24,25,26)
InChIKeyLQYSCRXCPSPMGQ-UHFFFAOYSA-N
XLogP3.77
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.42
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[[2-(4-fluorophenyl)-2-methylpropyl]amino]pyrimidin-5-yl]benzamide?
The IUPAC name of 4-[2-[[2-(4-fluorophenyl)-2-methylpropyl]amino]pyrimidin-5-yl]benzamide (CID 54591637) is 4-[2-[[2-(4-fluorophenyl)-2-methylpropyl]amino]pyrimidin-5-yl]benzamide.
What is the SMILES notation for 4-[2-[[2-(4-fluorophenyl)-2-methylpropyl]amino]pyrimidin-5-yl]benzamide?
The canonical SMILES for 4-[2-[[2-(4-fluorophenyl)-2-methylpropyl]amino]pyrimidin-5-yl]benzamide is CC(C)(CNc1ncc(-c2ccc(C(N)=O)cc2)cn1)c1ccc(F)cc1.
What is the InChIKey of 4-[2-[[2-(4-fluorophenyl)-2-methylpropyl]amino]pyrimidin-5-yl]benzamide?
The InChIKey is LQYSCRXCPSPMGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O/c1-21(2,17-7-9-18(22)10-8-17)13-26-20-24-11-16(12-25-20)14-3-5-15(6-4-14)19(23)27/h3-12H,13H2,1-2H3,(H2,23,27)(H,24,25,26).
What are the key properties of 4-[2-[[2-(4-fluorophenyl)-2-methylpropyl]amino]pyrimidin-5-yl]benzamide?
4-[2-[[2-(4-fluorophenyl)-2-methylpropyl]amino]pyrimidin-5-yl]benzamide has a molecular weight of 364.42 g/mol, XLogP of 3.77, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[2-(4-fluorophenyl)-2-methylpropyl]amino]pyrimidin-5-yl]benzamide is sourced from PubChem (CID 54591637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).