N-[4-(2,6-dimethyl-4-oxo-5-phenylpyrimidin-1-yl)phenyl]acetamide

C20H19N3O2 — CID 660997

IUPACN-[4-(2,6-dimethyl-4-oxo-5-phenylpyrimidin-1-yl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(-n2c(C)nc(=O)c(-c3ccccc3)c2C)cc1
InChIInChI=1S/C20H19N3O2/c1-13-19(16-7-5-4-6-8-16)20(25)21-14(2)23(13)18-11-9-17(10-12-18)22-15(3)24/h4-12H,1-3H3,(H,22,24)
InChIKeyHFOIJQATQSLCCY-UHFFFAOYSA-N
MW333.39 g/mol
LogP3.47
Rot. Bonds3

About N-[4-(2,6-dimethyl-4-oxo-5-phenylpyrimidin-1-yl)phenyl]acetamide

N-[4-(2,6-dimethyl-4-oxo-5-phenylpyrimidin-1-yl)phenyl]acetamide (PubChem CID 660997) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is N-[4-(2,6-dimethyl-4-oxo-5-phenylpyrimidin-1-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-(2,6-dimethyl-4-oxo-5-phenylpyrimidin-1-yl)phenyl]acetamide
PubChem CID660997
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC NameN-[4-(2,6-dimethyl-4-oxo-5-phenylpyrimidin-1-yl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(-n2c(C)nc(=O)c(-c3ccccc3)c2C)cc1
InChIInChI=1S/C20H19N3O2/c1-13-19(16-7-5-4-6-8-16)20(25)21-14(2)23(13)18-11-9-17(10-12-18)22-15(3)24/h4-12H,1-3H3,(H,22,24)
InChIKeyHFOIJQATQSLCCY-UHFFFAOYSA-N
XLogP3.47
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2,6-dimethyl-4-oxo-5-phenylpyrimidin-1-yl)phenyl]acetamide?
The IUPAC name of N-[4-(2,6-dimethyl-4-oxo-5-phenylpyrimidin-1-yl)phenyl]acetamide (CID 660997) is N-[4-(2,6-dimethyl-4-oxo-5-phenylpyrimidin-1-yl)phenyl]acetamide.
What is the SMILES notation for N-[4-(2,6-dimethyl-4-oxo-5-phenylpyrimidin-1-yl)phenyl]acetamide?
The canonical SMILES for N-[4-(2,6-dimethyl-4-oxo-5-phenylpyrimidin-1-yl)phenyl]acetamide is CC(=O)Nc1ccc(-n2c(C)nc(=O)c(-c3ccccc3)c2C)cc1.
What is the InChIKey of N-[4-(2,6-dimethyl-4-oxo-5-phenylpyrimidin-1-yl)phenyl]acetamide?
The InChIKey is HFOIJQATQSLCCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2/c1-13-19(16-7-5-4-6-8-16)20(25)21-14(2)23(13)18-11-9-17(10-12-18)22-15(3)24/h4-12H,1-3H3,(H,22,24).
What are the key properties of N-[4-(2,6-dimethyl-4-oxo-5-phenylpyrimidin-1-yl)phenyl]acetamide?
N-[4-(2,6-dimethyl-4-oxo-5-phenylpyrimidin-1-yl)phenyl]acetamide has a molecular weight of 333.39 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,6-dimethyl-4-oxo-5-phenylpyrimidin-1-yl)phenyl]acetamide is sourced from PubChem (CID 660997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).