4-[[6-(3-fluorophenyl)pyrimidin-4-yl]amino]-N,N-dipropylbenzamide

C23H25FN4O — CID 50783476

IUPAC4-[[6-(3-fluorophenyl)pyrimidin-4-yl]amino]-N,N-dipropylbenzamide
SMILESCCCN(CCC)C(=O)c1ccc(Nc2cc(-c3cccc(F)c3)ncn2)cc1
InChIInChI=1S/C23H25FN4O/c1-3-12-28(13-4-2)23(29)17-8-10-20(11-9-17)27-22-15-21(25-16-26-22)18-6-5-7-19(24)14-18/h5-11,14-16H,3-4,12-13H2,1-2H3,(H,25,26,27)
InChIKeyINJQRRMZKBEBRI-UHFFFAOYSA-N
MW392.48 g/mol
LogP5.29
Rot. Bonds8

About 4-[[6-(3-fluorophenyl)pyrimidin-4-yl]amino]-N,N-dipropylbenzamide

4-[[6-(3-fluorophenyl)pyrimidin-4-yl]amino]-N,N-dipropylbenzamide (PubChem CID 50783476) has the molecular formula C23H25FN4O and a molecular weight of 392.48 g/mol. Its IUPAC name is 4-[[6-(3-fluorophenyl)pyrimidin-4-yl]amino]-N,N-dipropylbenzamide.

Molecular Properties

Compound Name4-[[6-(3-fluorophenyl)pyrimidin-4-yl]amino]-N,N-dipropylbenzamide
PubChem CID50783476
Molecular FormulaC23H25FN4O
Molecular Weight392.48 g/mol
Exact Mass392.20
IUPAC Name4-[[6-(3-fluorophenyl)pyrimidin-4-yl]amino]-N,N-dipropylbenzamide
SMILESCCCN(CCC)C(=O)c1ccc(Nc2cc(-c3cccc(F)c3)ncn2)cc1
InChIInChI=1S/C23H25FN4O/c1-3-12-28(13-4-2)23(29)17-8-10-20(11-9-17)27-22-15-21(25-16-26-22)18-6-5-7-19(24)14-18/h5-11,14-16H,3-4,12-13H2,1-2H3,(H,25,26,27)
InChIKeyINJQRRMZKBEBRI-UHFFFAOYSA-N
XLogP5.29
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.48
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[[6-(3-fluorophenyl)pyrimidin-4-yl]amino]-N,N-dipropylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[6-(4-fluorophenyl)pyrimidin-4-yl]amino]-N,N-dipropylbenzamide
CID 50783882
4-[[6-(3-fluorophenyl)pyridazin-3-yl]amino]-N,N-dipropylbenzamide
CID 46320757
3-[[6-(3-methylphenyl)pyrimidin-4-yl]amino]-N,N-dipropylbenzamide
CID 46327059
N-cyclohexyl-4-[[6-(3-fluorophenyl)pyrimidin-4-yl]amino]-N-methylbenzamide
CID 46327407
N-[2-(4-ethylpiperazin-1-yl)ethyl]-4-[[6-(3-fluorophenyl)pyrimidin-4-yl]amino]benzamide
CID 50783465
4-[[6-(3-fluorophenyl)pyrimidin-4-yl]amino]-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 46327404
N-butyl-N-ethyl-4-[[6-(4-methylphenyl)pyrimidin-4-yl]amino]benzamide
CID 46327347
N-(3-bromophenyl)-4-[[6-(3-fluorophenyl)pyrimidin-4-yl]amino]benzamide
CID 46327403
4-[[6-(4-fluorophenyl)pyrimidin-4-yl]amino]-N-propylbenzamide
CID 50783837
4-[[6-(3-fluorophenyl)pyrimidin-4-yl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 50783456
3-[[6-(3-fluorophenyl)pyrimidin-4-yl]amino]-N-(3-methoxypropyl)benzamide
CID 50783694
N-tert-butyl-3-[[6-(3-fluorophenyl)pyrimidin-4-yl]amino]benzamide
CID 50783573

Frequently Asked Questions

What is the IUPAC name of 4-[[6-(3-fluorophenyl)pyrimidin-4-yl]amino]-N,N-dipropylbenzamide?
The IUPAC name of 4-[[6-(3-fluorophenyl)pyrimidin-4-yl]amino]-N,N-dipropylbenzamide (CID 50783476) is 4-[[6-(3-fluorophenyl)pyrimidin-4-yl]amino]-N,N-dipropylbenzamide.
What is the SMILES notation for 4-[[6-(3-fluorophenyl)pyrimidin-4-yl]amino]-N,N-dipropylbenzamide?
The canonical SMILES for 4-[[6-(3-fluorophenyl)pyrimidin-4-yl]amino]-N,N-dipropylbenzamide is CCCN(CCC)C(=O)c1ccc(Nc2cc(-c3cccc(F)c3)ncn2)cc1.
What is the InChIKey of 4-[[6-(3-fluorophenyl)pyrimidin-4-yl]amino]-N,N-dipropylbenzamide?
The InChIKey is INJQRRMZKBEBRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O/c1-3-12-28(13-4-2)23(29)17-8-10-20(11-9-17)27-22-15-21(25-16-26-22)18-6-5-7-19(24)14-18/h5-11,14-16H,3-4,12-13H2,1-2H3,(H,25,26,27).
What are the key properties of 4-[[6-(3-fluorophenyl)pyrimidin-4-yl]amino]-N,N-dipropylbenzamide?
4-[[6-(3-fluorophenyl)pyrimidin-4-yl]amino]-N,N-dipropylbenzamide has a molecular weight of 392.48 g/mol, XLogP of 5.29, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-(3-fluorophenyl)pyrimidin-4-yl]amino]-N,N-dipropylbenzamide is sourced from PubChem (CID 50783476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).