4-[[6-(4-fluorophenyl)pyrimidin-4-yl]amino]-N-propylbenzamide

C20H19FN4O — CID 50783837

IUPAC4-[[6-(4-fluorophenyl)pyrimidin-4-yl]amino]-N-propylbenzamide
SMILESCCCNC(=O)c1ccc(Nc2cc(-c3ccc(F)cc3)ncn2)cc1
InChIInChI=1S/C20H19FN4O/c1-2-11-22-20(26)15-5-9-17(10-6-15)25-19-12-18(23-13-24-19)14-3-7-16(21)8-4-14/h3-10,12-13H,2,11H2,1H3,(H,22,26)(H,23,24,25)
InChIKeyIBEJAEPTGGZMOY-UHFFFAOYSA-N
MW350.40 g/mol
LogP4.17
Rot. Bonds6

About 4-[[6-(4-fluorophenyl)pyrimidin-4-yl]amino]-N-propylbenzamide

4-[[6-(4-fluorophenyl)pyrimidin-4-yl]amino]-N-propylbenzamide (PubChem CID 50783837) has the molecular formula C20H19FN4O and a molecular weight of 350.40 g/mol. Its IUPAC name is 4-[[6-(4-fluorophenyl)pyrimidin-4-yl]amino]-N-propylbenzamide.

Molecular Properties

Compound Name4-[[6-(4-fluorophenyl)pyrimidin-4-yl]amino]-N-propylbenzamide
PubChem CID50783837
Molecular FormulaC20H19FN4O
Molecular Weight350.40 g/mol
Exact Mass350.15
IUPAC Name4-[[6-(4-fluorophenyl)pyrimidin-4-yl]amino]-N-propylbenzamide
SMILESCCCNC(=O)c1ccc(Nc2cc(-c3ccc(F)cc3)ncn2)cc1
InChIInChI=1S/C20H19FN4O/c1-2-11-22-20(26)15-5-9-17(10-6-15)25-19-12-18(23-13-24-19)14-3-7-16(21)8-4-14/h3-10,12-13H,2,11H2,1H3,(H,22,26)(H,23,24,25)
InChIKeyIBEJAEPTGGZMOY-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

N-(3-ethoxypropyl)-4-[[6-(4-fluorophenyl)pyrimidin-4-yl]amino]benzamide
CID 50783831
4-[[6-(4-fluorophenyl)pyrimidin-4-yl]amino]-N,N-dipropylbenzamide
CID 50783882
N-[(4-chlorophenyl)methyl]-4-[[6-(4-fluorophenyl)pyrimidin-4-yl]amino]benzamide
CID 46327334
4-[[2-(4-fluorophenyl)pyrimidin-4-yl]amino]-N-propylbenzamide
CID 53078145
4-[[6-(4-fluorophenyl)pyrimidin-4-yl]amino]-N-(2-methoxyphenyl)benzamide
CID 50783843
4-[[6-(4-fluorophenyl)pyrimidin-4-yl]amino]-N-(4-phenylbutan-2-yl)benzamide
CID 46327336
N-[2-(dimethylamino)ethyl]-4-[6-[4-(trifluoromethoxy)anilino]pyrimidin-4-yl]benzamide
CID 59983044
N-[2-(4-ethylpiperazin-1-yl)ethyl]-4-[[6-(3-fluorophenyl)pyrimidin-4-yl]amino]benzamide
CID 50783465
6-(4-methylanilino)-N-propylpyrimidine-4-carboxamide
CID 109338528
4-[[6-(3-fluorophenyl)pyrimidin-4-yl]amino]-N,N-dipropylbenzamide
CID 50783476
N-[2-[2-[2-[2-[2-[2-[2-[(4-fluorobenzoyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-3-[6-[4-(trifluoromethoxy)anilino]pyrimidin-4-yl]benzamide
CID 118226090
N-butyl-N-ethyl-4-[[6-(4-methylphenyl)pyrimidin-4-yl]amino]benzamide
CID 46327347

Frequently Asked Questions

What is the IUPAC name of 4-[[6-(4-fluorophenyl)pyrimidin-4-yl]amino]-N-propylbenzamide?
The IUPAC name of 4-[[6-(4-fluorophenyl)pyrimidin-4-yl]amino]-N-propylbenzamide (CID 50783837) is 4-[[6-(4-fluorophenyl)pyrimidin-4-yl]amino]-N-propylbenzamide.
What is the SMILES notation for 4-[[6-(4-fluorophenyl)pyrimidin-4-yl]amino]-N-propylbenzamide?
The canonical SMILES for 4-[[6-(4-fluorophenyl)pyrimidin-4-yl]amino]-N-propylbenzamide is CCCNC(=O)c1ccc(Nc2cc(-c3ccc(F)cc3)ncn2)cc1.
What is the InChIKey of 4-[[6-(4-fluorophenyl)pyrimidin-4-yl]amino]-N-propylbenzamide?
The InChIKey is IBEJAEPTGGZMOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O/c1-2-11-22-20(26)15-5-9-17(10-6-15)25-19-12-18(23-13-24-19)14-3-7-16(21)8-4-14/h3-10,12-13H,2,11H2,1H3,(H,22,26)(H,23,24,25).
What are the key properties of 4-[[6-(4-fluorophenyl)pyrimidin-4-yl]amino]-N-propylbenzamide?
4-[[6-(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-[[6-(4-fluorophenyl)pyrimidin-4-yl]amino]-N-propylbenzamide is sourced from PubChem (CID 50783837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).