2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-(2-phenylethyl)acetamide

C16H19N3O2 — CID 3163986

IUPAC2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-(2-phenylethyl)acetamide
SMILESCc1cc(C)n(CC(=O)NCCc2ccccc2)c(=O)n1
InChIInChI=1S/C16H19N3O2/c1-12-10-13(2)19(16(21)18-12)11-15(20)17-9-8-14-6-4-3-5-7-14/h3-7,10H,8-9,11H2,1-2H3,(H,17,20)
InChIKeyMBDQWJNLYJXLEE-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.22
Rot. Bonds5

About 2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-(2-phenylethyl)acetamide

2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-(2-phenylethyl)acetamide (PubChem CID 3163986) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-(2-phenylethyl)acetamide
PubChem CID3163986
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-(2-phenylethyl)acetamide
SMILESCc1cc(C)n(CC(=O)NCCc2ccccc2)c(=O)n1
InChIInChI=1S/C16H19N3O2/c1-12-10-13(2)19(16(21)18-12)11-15(20)17-9-8-14-6-4-3-5-7-14/h3-7,10H,8-9,11H2,1-2H3,(H,17,20)
InChIKeyMBDQWJNLYJXLEE-UHFFFAOYSA-N
XLogP1.22
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-(2-phenylethyl)acetamide (CID 3163986) is 2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-(2-phenylethyl)acetamide is Cc1cc(C)n(CC(=O)NCCc2ccccc2)c(=O)n1.
What is the InChIKey of 2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-(2-phenylethyl)acetamide?
The InChIKey is MBDQWJNLYJXLEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-12-10-13(2)19(16(21)18-12)11-15(20)17-9-8-14-6-4-3-5-7-14/h3-7,10H,8-9,11H2,1-2H3,(H,17,20).
What are the key properties of 2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-(2-phenylethyl)acetamide?
2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-(2-phenylethyl)acetamide has a molecular weight of 285.35 g/mol, XLogP of 1.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 3163986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).