2-(4-methoxyphenyl)-N-[2-(4-methylphenyl)pyrimidin-5-yl]acetamide

C20H19N3O2 — CID 87050668

IUPAC2-(4-methoxyphenyl)-N-[2-(4-methylphenyl)pyrimidin-5-yl]acetamide
SMILESCOc1ccc(CC(=O)Nc2cnc(-c3ccc(C)cc3)nc2)cc1
InChIInChI=1S/C20H19N3O2/c1-14-3-7-16(8-4-14)20-21-12-17(13-22-20)23-19(24)11-15-5-9-18(25-2)10-6-15/h3-10,12-13H,11H2,1-2H3,(H,23,24)
InChIKeyOKWHIEVQMHCIGD-UHFFFAOYSA-N
MW333.39 g/mol
LogP3.64
Rot. Bonds5

About 2-(4-methoxyphenyl)-N-[2-(4-methylphenyl)pyrimidin-5-yl]acetamide

2-(4-methoxyphenyl)-N-[2-(4-methylphenyl)pyrimidin-5-yl]acetamide (PubChem CID 87050668) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-[2-(4-methylphenyl)pyrimidin-5-yl]acetamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N-[2-(4-methylphenyl)pyrimidin-5-yl]acetamide
PubChem CID87050668
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC Name2-(4-methoxyphenyl)-N-[2-(4-methylphenyl)pyrimidin-5-yl]acetamide
SMILESCOc1ccc(CC(=O)Nc2cnc(-c3ccc(C)cc3)nc2)cc1
InChIInChI=1S/C20H19N3O2/c1-14-3-7-16(8-4-14)20-21-12-17(13-22-20)23-19(24)11-15-5-9-18(25-2)10-6-15/h3-10,12-13H,11H2,1-2H3,(H,23,24)
InChIKeyOKWHIEVQMHCIGD-UHFFFAOYSA-N
XLogP3.64
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-N-[2-(4-methylphenyl)pyrimidin-5-yl]acetamide?
The IUPAC name of 2-(4-methoxyphenyl)-N-[2-(4-methylphenyl)pyrimidin-5-yl]acetamide (CID 87050668) is 2-(4-methoxyphenyl)-N-[2-(4-methylphenyl)pyrimidin-5-yl]acetamide.
What is the SMILES notation for 2-(4-methoxyphenyl)-N-[2-(4-methylphenyl)pyrimidin-5-yl]acetamide?
The canonical SMILES for 2-(4-methoxyphenyl)-N-[2-(4-methylphenyl)pyrimidin-5-yl]acetamide is COc1ccc(CC(=O)Nc2cnc(-c3ccc(C)cc3)nc2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-N-[2-(4-methylphenyl)pyrimidin-5-yl]acetamide?
The InChIKey is OKWHIEVQMHCIGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2/c1-14-3-7-16(8-4-14)20-21-12-17(13-22-20)23-19(24)11-15-5-9-18(25-2)10-6-15/h3-10,12-13H,11H2,1-2H3,(H,23,24).
What are the key properties of 2-(4-methoxyphenyl)-N-[2-(4-methylphenyl)pyrimidin-5-yl]acetamide?
2-(4-methoxyphenyl)-N-[2-(4-methylphenyl)pyrimidin-5-yl]acetamide has a molecular weight of 333.39 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-N-[2-(4-methylphenyl)pyrimidin-5-yl]acetamide is sourced from PubChem (CID 87050668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).