3-cyano-N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]benzamide

C21H20N6O — CID 122287309

IUPAC3-cyano-N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]benzamide
SMILESCc1cc(N(C)C)nc(Nc2ccc(NC(=O)c3cccc(C#N)c3)cc2)n1
InChIInChI=1S/C21H20N6O/c1-14-11-19(27(2)3)26-21(23-14)25-18-9-7-17(8-10-18)24-20(28)16-6-4-5-15(12-16)13-22/h4-12H,1-3H3,(H,24,28)(H,23,25,26)
InChIKeyQIAXRFIJPBOASS-UHFFFAOYSA-N
MW372.43 g/mol
LogP3.72
Rot. Bonds5

About 3-cyano-N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]benzamide

3-cyano-N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]benzamide (PubChem CID 122287309) has the molecular formula C21H20N6O and a molecular weight of 372.43 g/mol. Its IUPAC name is 3-cyano-N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]benzamide.

Molecular Properties

Compound Name3-cyano-N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]benzamide
PubChem CID122287309
Molecular FormulaC21H20N6O
Molecular Weight372.43 g/mol
Exact Mass372.17
IUPAC Name3-cyano-N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]benzamide
SMILESCc1cc(N(C)C)nc(Nc2ccc(NC(=O)c3cccc(C#N)c3)cc2)n1
InChIInChI=1S/C21H20N6O/c1-14-11-19(27(2)3)26-21(23-14)25-18-9-7-17(8-10-18)24-20(28)16-6-4-5-15(12-16)13-22/h4-12H,1-3H3,(H,24,28)(H,23,25,26)
InChIKeyQIAXRFIJPBOASS-UHFFFAOYSA-N
XLogP3.72
TPSA93.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-3-methylbenzamide
CID 27537410
3-cyano-N-[4-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]phenyl]benzamide
CID 122287581
3-cyano-N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]benzamide
CID 122295423
3-cyano-N-[6-(dimethylamino)-3-pyridinyl]benzamide
CID 30272011
N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-4-phenoxybenzamide
CID 122287304
N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-4-ethoxybenzamide
CID 46362597
3-cyano-N-[3-(dimethylamino)-4-methylphenyl]benzamide
CID 115377455
N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-2,4-dimethylbenzamide
CID 121032306
2-anilino-N-(3-cyanophenyl)-6-methylpyrimidine-4-carboxamide
CID 109334617
N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 122287302
3-bromo-N-[4-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]benzamide
CID 108765874
N-[4-[[4-(diethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-3-(trifluoromethoxy)benzamide
CID 122288391

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]benzamide?
The IUPAC name of 3-cyano-N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]benzamide (CID 122287309) is 3-cyano-N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]benzamide.
What is the SMILES notation for 3-cyano-N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]benzamide?
The canonical SMILES for 3-cyano-N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]benzamide is Cc1cc(N(C)C)nc(Nc2ccc(NC(=O)c3cccc(C#N)c3)cc2)n1.
What is the InChIKey of 3-cyano-N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]benzamide?
The InChIKey is QIAXRFIJPBOASS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O/c1-14-11-19(27(2)3)26-21(23-14)25-18-9-7-17(8-10-18)24-20(28)16-6-4-5-15(12-16)13-22/h4-12H,1-3H3,(H,24,28)(H,23,25,26).
What are the key properties of 3-cyano-N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]benzamide?
3-cyano-N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]benzamide has a molecular weight of 372.43 g/mol, XLogP of 3.72, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]benzamide is sourced from PubChem (CID 122287309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).