4-[[2-(4-fluorophenyl)pyrimidin-4-yl]amino]-N-propylbenzamide

C20H19FN4O — CID 53078145

IUPAC4-[[2-(4-fluorophenyl)pyrimidin-4-yl]amino]-N-propylbenzamide
SMILESCCCNC(=O)c1ccc(Nc2ccnc(-c3ccc(F)cc3)n2)cc1
InChIInChI=1S/C20H19FN4O/c1-2-12-23-20(26)15-5-9-17(10-6-15)24-18-11-13-22-19(25-18)14-3-7-16(21)8-4-14/h3-11,13H,2,12H2,1H3,(H,23,26)(H,22,24,25)
InChIKeyHJBHISFJIMQGNT-UHFFFAOYSA-N
MW350.40 g/mol
LogP4.17
Rot. Bonds6

About 4-[[2-(4-fluorophenyl)pyrimidin-4-yl]amino]-N-propylbenzamide

4-[[2-(4-fluorophenyl)pyrimidin-4-yl]amino]-N-propylbenzamide (PubChem CID 53078145) has the molecular formula C20H19FN4O and a molecular weight of 350.40 g/mol. Its IUPAC name is 4-[[2-(4-fluorophenyl)pyrimidin-4-yl]amino]-N-propylbenzamide.

Molecular Properties

Compound Name4-[[2-(4-fluorophenyl)pyrimidin-4-yl]amino]-N-propylbenzamide
PubChem CID53078145
Molecular FormulaC20H19FN4O
Molecular Weight350.40 g/mol
Exact Mass350.15
IUPAC Name4-[[2-(4-fluorophenyl)pyrimidin-4-yl]amino]-N-propylbenzamide
SMILESCCCNC(=O)c1ccc(Nc2ccnc(-c3ccc(F)cc3)n2)cc1
InChIInChI=1S/C20H19FN4O/c1-2-12-23-20(26)15-5-9-17(10-6-15)24-18-11-13-22-19(25-18)14-3-7-16(21)8-4-14/h3-11,13H,2,12H2,1H3,(H,23,26)(H,22,24,25)
InChIKeyHJBHISFJIMQGNT-UHFFFAOYSA-N
XLogP4.17
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[2-(4-fluorophenyl)pyrimidin-4-yl]amino]-N-(2-piperidin-1-ylethyl)benzamide
CID 53078149
4-[[2-(4-fluorophenyl)pyrimidin-4-yl]amino]-N-[(4-methoxyphenyl)methyl]benzamide
CID 53078203
4-[[6-(4-fluorophenyl)pyrimidin-4-yl]amino]-N-propylbenzamide
CID 50783837
N-(4-bromophenyl)-4-[[2-(4-fluorophenyl)pyrimidin-4-yl]amino]benzamide
CID 53006978
4-[[2-(4-fluorophenyl)pyrimidin-4-yl]amino]-N-[3-(2-methylpiperidin-1-yl)propyl]benzamide
CID 53078208
3-[[2-(4-fluorophenyl)pyrimidin-4-yl]amino]-N-(2-methylpropyl)benzamide
CID 46331137
N-[(4-fluorophenyl)methyl]-3-[[2-(4-fluorophenyl)pyrimidin-4-yl]amino]benzamide
CID 46331192
4-[[2-(3-fluorophenyl)pyrimidin-4-yl]amino]-N-[(4-propoxyphenyl)methyl]benzamide
CID 53078307
3-[[2-(4-fluorophenyl)pyrimidin-4-yl]amino]-N-[(4-propoxyphenyl)methyl]benzamide
CID 46331193
N-[(2-chlorophenyl)methyl]-4-[[2-(4-methylphenyl)pyrimidin-4-yl]amino]benzamide
CID 53078243
N-benzyl-4-[[2-(3-fluorophenyl)pyrimidin-4-yl]amino]benzamide
CID 53078308
N-(3,5-dimethylphenyl)-4-[[2-(4-methylphenyl)pyrimidin-4-yl]amino]benzamide
CID 53078214

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(4-fluorophenyl)pyrimidin-4-yl]amino]-N-propylbenzamide?
The IUPAC name of 4-[[2-(4-fluorophenyl)pyrimidin-4-yl]amino]-N-propylbenzamide (CID 53078145) is 4-[[2-(4-fluorophenyl)pyrimidin-4-yl]amino]-N-propylbenzamide.
What is the SMILES notation for 4-[[2-(4-fluorophenyl)pyrimidin-4-yl]amino]-N-propylbenzamide?
The canonical SMILES for 4-[[2-(4-fluorophenyl)pyrimidin-4-yl]amino]-N-propylbenzamide is CCCNC(=O)c1ccc(Nc2ccnc(-c3ccc(F)cc3)n2)cc1.
What is the InChIKey of 4-[[2-(4-fluorophenyl)pyrimidin-4-yl]amino]-N-propylbenzamide?
The InChIKey is HJBHISFJIMQGNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O/c1-2-12-23-20(26)15-5-9-17(10-6-15)24-18-11-13-22-19(25-18)14-3-7-16(21)8-4-14/h3-11,13H,2,12H2,1H3,(H,23,26)(H,22,24,25).
What are the key properties of 4-[[2-(4-fluorophenyl)pyrimidin-4-yl]amino]-N-propylbenzamide?
4-[[2-(4-fluorophenyl)pyrimidin-4-yl]amino]-N-propylbenzamide has a molecular weight of 350.40 g/mol, XLogP of 4.17, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(4-fluorophenyl)pyrimidin-4-yl]amino]-N-propylbenzamide is sourced from PubChem (CID 53078145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).