3-[[2-(4-fluorophenyl)pyrimidin-4-yl]amino]-N-(2-methylpropyl)benzamide

C21H21FN4O — CID 46331137

IUPAC3-[[2-(4-fluorophenyl)pyrimidin-4-yl]amino]-N-(2-methylpropyl)benzamide
SMILESCC(C)CNC(=O)c1cccc(Nc2ccnc(-c3ccc(F)cc3)n2)c1
InChIInChI=1S/C21H21FN4O/c1-14(2)13-24-21(27)16-4-3-5-18(12-16)25-19-10-11-23-20(26-19)15-6-8-17(22)9-7-15/h3-12,14H,13H2,1-2H3,(H,24,27)(H,23,25,26)
InChIKeyYXTPRABYAFHZFR-UHFFFAOYSA-N
MW364.42 g/mol
LogP4.41
Rot. Bonds6

About 3-[[2-(4-fluorophenyl)pyrimidin-4-yl]amino]-N-(2-methylpropyl)benzamide

3-[[2-(4-fluorophenyl)pyrimidin-4-yl]amino]-N-(2-methylpropyl)benzamide (PubChem CID 46331137) has the molecular formula C21H21FN4O and a molecular weight of 364.42 g/mol. Its IUPAC name is 3-[[2-(4-fluorophenyl)pyrimidin-4-yl]amino]-N-(2-methylpropyl)benzamide.

Molecular Properties

Compound Name3-[[2-(4-fluorophenyl)pyrimidin-4-yl]amino]-N-(2-methylpropyl)benzamide
PubChem CID46331137
Molecular FormulaC21H21FN4O
Molecular Weight364.42 g/mol
Exact Mass364.17
IUPAC Name3-[[2-(4-fluorophenyl)pyrimidin-4-yl]amino]-N-(2-methylpropyl)benzamide
SMILESCC(C)CNC(=O)c1cccc(Nc2ccnc(-c3ccc(F)cc3)n2)c1
InChIInChI=1S/C21H21FN4O/c1-14(2)13-24-21(27)16-4-3-5-18(12-16)25-19-10-11-23-20(26-19)15-6-8-17(22)9-7-15/h3-12,14H,13H2,1-2H3,(H,24,27)(H,23,25,26)
InChIKeyYXTPRABYAFHZFR-UHFFFAOYSA-N
XLogP4.41
TPSA66.91 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 ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methylpropyl)-3-[(2-phenylpyrimidin-4-yl)amino]benzamide
CID 46331360
N-[(4-fluorophenyl)methyl]-3-[[2-(4-fluorophenyl)pyrimidin-4-yl]amino]benzamide
CID 46331192
3-[[2-(4-fluorophenyl)pyrimidin-4-yl]amino]-N-[(4-propoxyphenyl)methyl]benzamide
CID 46331193
3-[(2-phenylpyrimidin-4-yl)amino]-N-[(4-propan-2-ylphenyl)methyl]benzamide
CID 46331407
N-benzyl-3-[[2-(3-fluorophenyl)pyrimidin-4-yl]amino]benzamide
CID 46331347
3-[[2-(4-fluorophenyl)pyrimidin-4-yl]amino]-N-(4-morpholin-4-ylphenyl)benzamide
CID 46331171
[3-[[2-(4-fluorophenyl)pyrimidin-4-yl]amino]phenyl]-(4-methylpiperidin-1-yl)methanone
CID 46331145
4-[[2-(4-fluorophenyl)pyrimidin-4-yl]amino]-N-propylbenzamide
CID 53078145
N-(3-chlorophenyl)-3-[[2-(4-methylphenyl)pyrimidin-4-yl]amino]benzamide
CID 46331241
ethyl 3-[(2-pyridin-4-ylpyrimidin-4-yl)amino]benzoate
CID 90353046
3-[2-(3-fluorophenyl)pyrimidin-4-yl]oxy-N-(2-methylpropyl)benzamide
CID 46388852
N-[2-[benzyl(ethyl)amino]ethyl]-3-[(2-phenylpyrimidin-4-yl)amino]benzamide
CID 46331386

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(4-fluorophenyl)pyrimidin-4-yl]amino]-N-(2-methylpropyl)benzamide?
The IUPAC name of 3-[[2-(4-fluorophenyl)pyrimidin-4-yl]amino]-N-(2-methylpropyl)benzamide (CID 46331137) is 3-[[2-(4-fluorophenyl)pyrimidin-4-yl]amino]-N-(2-methylpropyl)benzamide.
What is the SMILES notation for 3-[[2-(4-fluorophenyl)pyrimidin-4-yl]amino]-N-(2-methylpropyl)benzamide?
The canonical SMILES for 3-[[2-(4-fluorophenyl)pyrimidin-4-yl]amino]-N-(2-methylpropyl)benzamide is CC(C)CNC(=O)c1cccc(Nc2ccnc(-c3ccc(F)cc3)n2)c1.
What is the InChIKey of 3-[[2-(4-fluorophenyl)pyrimidin-4-yl]amino]-N-(2-methylpropyl)benzamide?
The InChIKey is YXTPRABYAFHZFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O/c1-14(2)13-24-21(27)16-4-3-5-18(12-16)25-19-10-11-23-20(26-19)15-6-8-17(22)9-7-15/h3-12,14H,13H2,1-2H3,(H,24,27)(H,23,25,26).
What are the key properties of 3-[[2-(4-fluorophenyl)pyrimidin-4-yl]amino]-N-(2-methylpropyl)benzamide?
3-[[2-(4-fluorophenyl)pyrimidin-4-yl]amino]-N-(2-methylpropyl)benzamide has a molecular weight of 364.42 g/mol, XLogP of 4.41, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(4-fluorophenyl)pyrimidin-4-yl]amino]-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 46331137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).