N-[3-[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]phenyl]acetamide

C16H20N4O — CID 50976172

IUPACN-[3-[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2nc(N(C)C)nc(C)c2C)c1
InChIInChI=1S/C16H20N4O/c1-10-11(2)17-16(20(4)5)19-15(10)13-7-6-8-14(9-13)18-12(3)21/h6-9H,1-5H3,(H,18,21)
InChIKeyVXFHQEWDQXARJT-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.78
Rot. Bonds3

About N-[3-[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]phenyl]acetamide

N-[3-[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]phenyl]acetamide (PubChem CID 50976172) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is N-[3-[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]phenyl]acetamide
PubChem CID50976172
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC NameN-[3-[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2nc(N(C)C)nc(C)c2C)c1
InChIInChI=1S/C16H20N4O/c1-10-11(2)17-16(20(4)5)19-15(10)13-7-6-8-14(9-13)18-12(3)21/h6-9H,1-5H3,(H,18,21)
InChIKeyVXFHQEWDQXARJT-UHFFFAOYSA-N
XLogP2.78
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(6-chloro-4-methylpyridazin-3-yl)phenyl]acetamide
CID 58006576
N-[3-(2,3,5,6-tetrafluoro-4-pyridinyl)phenyl]acetamide
CID 71003917
2-(3-acetamidophenyl)pyridine-3-carboxylic acid
CID 53223643
N-[3-(3-aminophenyl)phenyl]acetamide
CID 22724502
N-[3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]phenyl]acetamide
CID 82559432
N-(3-methylphenyl)acetamide
CID 10843
N-[3-[4-(aminomethyl)-5-methyl-1,2-oxazol-3-yl]phenyl]acetamide
CID 82371371
N-[3-(3-cyanopyrazin-2-yl)phenyl]acetamide
CID 50983123
2-(3-acetamidophenyl)-4-methylimidazole-1-carboxylic acid
CID 19761467
N-[3-(4-methyl-2-pyridinyl)phenyl]acetamide
CID 143373898
sodium tetrakis(3-acetamidophenyl)boranuide
CID 139966900
N-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]acetamide
CID 53013476

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]phenyl]acetamide?
The IUPAC name of N-[3-[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]phenyl]acetamide (CID 50976172) is N-[3-[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]phenyl]acetamide.
What is the SMILES notation for N-[3-[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]phenyl]acetamide?
The canonical SMILES for N-[3-[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]phenyl]acetamide is CC(=O)Nc1cccc(-c2nc(N(C)C)nc(C)c2C)c1.
What is the InChIKey of N-[3-[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]phenyl]acetamide?
The InChIKey is VXFHQEWDQXARJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-10-11(2)17-16(20(4)5)19-15(10)13-7-6-8-14(9-13)18-12(3)21/h6-9H,1-5H3,(H,18,21).
What are the key properties of N-[3-[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]phenyl]acetamide?
N-[3-[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]phenyl]acetamide has a molecular weight of 284.36 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]phenyl]acetamide is sourced from PubChem (CID 50976172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).