N-(2,6-dimethylphenyl)-4-[(4,5-dimethylpyrimidin-2-yl)amino]benzamide

C21H22N4O — CID 72724710

IUPACN-(2,6-dimethylphenyl)-4-[(4,5-dimethylpyrimidin-2-yl)amino]benzamide
SMILESCc1cnc(Nc2ccc(C(=O)Nc3c(C)cccc3C)cc2)nc1C
InChIInChI=1S/C21H22N4O/c1-13-6-5-7-14(2)19(13)25-20(26)17-8-10-18(11-9-17)24-21-22-12-15(3)16(4)23-21/h5-12H,1-4H3,(H,25,26)(H,22,23,24)
InChIKeyDKZGVLCARCFPDP-UHFFFAOYSA-N
MW346.43 g/mol
LogP4.71
Rot. Bonds4

About N-(2,6-dimethylphenyl)-4-[(4,5-dimethylpyrimidin-2-yl)amino]benzamide

N-(2,6-dimethylphenyl)-4-[(4,5-dimethylpyrimidin-2-yl)amino]benzamide (PubChem CID 72724710) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-4-[(4,5-dimethylpyrimidin-2-yl)amino]benzamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-4-[(4,5-dimethylpyrimidin-2-yl)amino]benzamide
PubChem CID72724710
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC NameN-(2,6-dimethylphenyl)-4-[(4,5-dimethylpyrimidin-2-yl)amino]benzamide
SMILESCc1cnc(Nc2ccc(C(=O)Nc3c(C)cccc3C)cc2)nc1C
InChIInChI=1S/C21H22N4O/c1-13-6-5-7-14(2)19(13)25-20(26)17-8-10-18(11-9-17)24-21-22-12-15(3)16(4)23-21/h5-12H,1-4H3,(H,25,26)(H,22,23,24)
InChIKeyDKZGVLCARCFPDP-UHFFFAOYSA-N
XLogP4.71
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-4-[(4,5-dimethylpyrimidin-2-yl)amino]benzamide?
The IUPAC name of N-(2,6-dimethylphenyl)-4-[(4,5-dimethylpyrimidin-2-yl)amino]benzamide (CID 72724710) is N-(2,6-dimethylphenyl)-4-[(4,5-dimethylpyrimidin-2-yl)amino]benzamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-4-[(4,5-dimethylpyrimidin-2-yl)amino]benzamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-4-[(4,5-dimethylpyrimidin-2-yl)amino]benzamide is Cc1cnc(Nc2ccc(C(=O)Nc3c(C)cccc3C)cc2)nc1C.
What is the InChIKey of N-(2,6-dimethylphenyl)-4-[(4,5-dimethylpyrimidin-2-yl)amino]benzamide?
The InChIKey is DKZGVLCARCFPDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O/c1-13-6-5-7-14(2)19(13)25-20(26)17-8-10-18(11-9-17)24-21-22-12-15(3)16(4)23-21/h5-12H,1-4H3,(H,25,26)(H,22,23,24).
What are the key properties of N-(2,6-dimethylphenyl)-4-[(4,5-dimethylpyrimidin-2-yl)amino]benzamide?
N-(2,6-dimethylphenyl)-4-[(4,5-dimethylpyrimidin-2-yl)amino]benzamide has a molecular weight of 346.43 g/mol, XLogP of 4.71, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-4-[(4,5-dimethylpyrimidin-2-yl)amino]benzamide is sourced from PubChem (CID 72724710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).