N-butyl-N-ethyl-4-[[6-(4-methylphenyl)pyrimidin-4-yl]amino]benzamide

C24H28N4O — CID 46327347

IUPACN-butyl-N-ethyl-4-[[6-(4-methylphenyl)pyrimidin-4-yl]amino]benzamide
SMILESCCCCN(CC)C(=O)c1ccc(Nc2cc(-c3ccc(C)cc3)ncn2)cc1
InChIInChI=1S/C24H28N4O/c1-4-6-15-28(5-2)24(29)20-11-13-21(14-12-20)27-23-16-22(25-17-26-23)19-9-7-18(3)8-10-19/h7-14,16-17H,4-6,15H2,1-3H3,(H,25,26,27)
InChIKeyFUNSFTZYTHBXAH-UHFFFAOYSA-N
MW388.52 g/mol
LogP5.46
Rot. Bonds8

About N-butyl-N-ethyl-4-[[6-(4-methylphenyl)pyrimidin-4-yl]amino]benzamide

N-butyl-N-ethyl-4-[[6-(4-methylphenyl)pyrimidin-4-yl]amino]benzamide (PubChem CID 46327347) has the molecular formula C24H28N4O and a molecular weight of 388.52 g/mol. Its IUPAC name is N-butyl-N-ethyl-4-[[6-(4-methylphenyl)pyrimidin-4-yl]amino]benzamide.

Molecular Properties

Compound NameN-butyl-N-ethyl-4-[[6-(4-methylphenyl)pyrimidin-4-yl]amino]benzamide
PubChem CID46327347
Molecular FormulaC24H28N4O
Molecular Weight388.52 g/mol
Exact Mass388.23
IUPAC NameN-butyl-N-ethyl-4-[[6-(4-methylphenyl)pyrimidin-4-yl]amino]benzamide
SMILESCCCCN(CC)C(=O)c1ccc(Nc2cc(-c3ccc(C)cc3)ncn2)cc1
InChIInChI=1S/C24H28N4O/c1-4-6-15-28(5-2)24(29)20-11-13-21(14-12-20)27-23-16-22(25-17-26-23)19-9-7-18(3)8-10-19/h7-14,16-17H,4-6,15H2,1-3H3,(H,25,26,27)
InChIKeyFUNSFTZYTHBXAH-UHFFFAOYSA-N
XLogP5.46
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.52
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-butyl-N-ethyl-4-[[6-(4-methylphenyl)pyrimidin-4-yl]amino]benzamide?
The IUPAC name of N-butyl-N-ethyl-4-[[6-(4-methylphenyl)pyrimidin-4-yl]amino]benzamide (CID 46327347) is N-butyl-N-ethyl-4-[[6-(4-methylphenyl)pyrimidin-4-yl]amino]benzamide.
What is the SMILES notation for N-butyl-N-ethyl-4-[[6-(4-methylphenyl)pyrimidin-4-yl]amino]benzamide?
The canonical SMILES for N-butyl-N-ethyl-4-[[6-(4-methylphenyl)pyrimidin-4-yl]amino]benzamide is CCCCN(CC)C(=O)c1ccc(Nc2cc(-c3ccc(C)cc3)ncn2)cc1.
What is the InChIKey of N-butyl-N-ethyl-4-[[6-(4-methylphenyl)pyrimidin-4-yl]amino]benzamide?
The InChIKey is FUNSFTZYTHBXAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O/c1-4-6-15-28(5-2)24(29)20-11-13-21(14-12-20)27-23-16-22(25-17-26-23)19-9-7-18(3)8-10-19/h7-14,16-17H,4-6,15H2,1-3H3,(H,25,26,27).
What are the key properties of N-butyl-N-ethyl-4-[[6-(4-methylphenyl)pyrimidin-4-yl]amino]benzamide?
N-butyl-N-ethyl-4-[[6-(4-methylphenyl)pyrimidin-4-yl]amino]benzamide has a molecular weight of 388.52 g/mol, XLogP of 5.46, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-ethyl-4-[[6-(4-methylphenyl)pyrimidin-4-yl]amino]benzamide is sourced from PubChem (CID 46327347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).