N-[2-(dimethylamino)ethyl]-N-methyl-4-(6-methyl-2-phenylpyrimidin-4-yl)benzamide

C23H26N4O — CID 122565761

IUPACN-[2-(dimethylamino)ethyl]-N-methyl-4-(6-methyl-2-phenylpyrimidin-4-yl)benzamide
SMILESCc1cc(-c2ccc(C(=O)N(C)CCN(C)C)cc2)nc(-c2ccccc2)n1
InChIInChI=1S/C23H26N4O/c1-17-16-21(25-22(24-17)19-8-6-5-7-9-19)18-10-12-20(13-11-18)23(28)27(4)15-14-26(2)3/h5-13,16H,14-15H2,1-4H3
InChIKeyZCBFDLHVGYMTSM-UHFFFAOYSA-N
MW374.49 g/mol
LogP3.75
Rot. Bonds6

About N-[2-(dimethylamino)ethyl]-N-methyl-4-(6-methyl-2-phenylpyrimidin-4-yl)benzamide

N-[2-(dimethylamino)ethyl]-N-methyl-4-(6-methyl-2-phenylpyrimidin-4-yl)benzamide (PubChem CID 122565761) has the molecular formula C23H26N4O and a molecular weight of 374.49 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-N-methyl-4-(6-methyl-2-phenylpyrimidin-4-yl)benzamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-N-methyl-4-(6-methyl-2-phenylpyrimidin-4-yl)benzamide
PubChem CID122565761
Molecular FormulaC23H26N4O
Molecular Weight374.49 g/mol
Exact Mass374.21
IUPAC NameN-[2-(dimethylamino)ethyl]-N-methyl-4-(6-methyl-2-phenylpyrimidin-4-yl)benzamide
SMILESCc1cc(-c2ccc(C(=O)N(C)CCN(C)C)cc2)nc(-c2ccccc2)n1
InChIInChI=1S/C23H26N4O/c1-17-16-21(25-22(24-17)19-8-6-5-7-9-19)18-10-12-20(13-11-18)23(28)27(4)15-14-26(2)3/h5-13,16H,14-15H2,1-4H3
InChIKeyZCBFDLHVGYMTSM-UHFFFAOYSA-N
XLogP3.75
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-2-phenyl-6-(4-pyridin-4-ylphenyl)pyrimidine
CID 130261229
copper;bis(4-methyl-2-(4-methyl-6-phenylpyrimidin-2-yl)-6-phenylpyrimidine)
CID 140777635
N-[2-(dimethylamino)ethyl]-4-(2,6-diphenyl-4-pyridinyl)benzamide;dihydrochloride
CID 67598283
4-methyl-6-(4-methylsulfonylphenyl)-2-phenylpyrimidine
CID 138967547
4-(2-amino-6-methylpyrimidin-4-yl)-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-methylbenzamide
CID 119062826
N-[3-(dimethylamino)propyl]-4-(2,6-diphenyl-4-pyridinyl)benzamide
CID 15410383
2-methyl-4,6-bis(4-methylphenyl)-1,3,5-triazine;4-methyl-2,6-diphenylpyrimidine;2-methyl-4,6-diphenyl-1,3,5-triazine;2-methyl-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 157118867
4-methyl-6-(4-phenoxyphenyl)-2-phenylpyrimidine
CID 138967549
3-[4-methyl-6-(4-methylphenyl)pyrimidin-2-yl]benzoic acid
CID 121285161
2-[4-[3-[4-(4,6-dimethylpyrimidin-2-yl)phenyl]-5-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]-4,6-dimethylpyrimidine
CID 129292621
4-methyl-6-phenylpyrimidine-2-carboxylic acid
CID 12846711
4-methyl-2-phenyl-6-(3-phenylphenyl)pyrimidine
CID 121360265

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-N-methyl-4-(6-methyl-2-phenylpyrimidin-4-yl)benzamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-N-methyl-4-(6-methyl-2-phenylpyrimidin-4-yl)benzamide (CID 122565761) is N-[2-(dimethylamino)ethyl]-N-methyl-4-(6-methyl-2-phenylpyrimidin-4-yl)benzamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-N-methyl-4-(6-methyl-2-phenylpyrimidin-4-yl)benzamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-N-methyl-4-(6-methyl-2-phenylpyrimidin-4-yl)benzamide is Cc1cc(-c2ccc(C(=O)N(C)CCN(C)C)cc2)nc(-c2ccccc2)n1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-N-methyl-4-(6-methyl-2-phenylpyrimidin-4-yl)benzamide?
The InChIKey is ZCBFDLHVGYMTSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O/c1-17-16-21(25-22(24-17)19-8-6-5-7-9-19)18-10-12-20(13-11-18)23(28)27(4)15-14-26(2)3/h5-13,16H,14-15H2,1-4H3.
What are the key properties of N-[2-(dimethylamino)ethyl]-N-methyl-4-(6-methyl-2-phenylpyrimidin-4-yl)benzamide?
N-[2-(dimethylamino)ethyl]-N-methyl-4-(6-methyl-2-phenylpyrimidin-4-yl)benzamide has a molecular weight of 374.49 g/mol, XLogP of 3.75, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-N-methyl-4-(6-methyl-2-phenylpyrimidin-4-yl)benzamide is sourced from PubChem (CID 122565761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).