2-(2-methylphenyl)-N-[2-(6-oxopyrimidin-1-yl)ethyl]propanamide

C16H19N3O2 — CID 154780665

IUPAC2-(2-methylphenyl)-N-[2-(6-oxopyrimidin-1-yl)ethyl]propanamide
SMILESCc1ccccc1C(C)C(=O)NCCn1cnccc1=O
InChIInChI=1S/C16H19N3O2/c1-12-5-3-4-6-14(12)13(2)16(21)18-9-10-19-11-17-8-7-15(19)20/h3-8,11,13H,9-10H2,1-2H3,(H,18,21)
InChIKeyOQOWQELBLCLNPO-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.47
Rot. Bonds5

About 2-(2-methylphenyl)-N-[2-(6-oxopyrimidin-1-yl)ethyl]propanamide

2-(2-methylphenyl)-N-[2-(6-oxopyrimidin-1-yl)ethyl]propanamide (PubChem CID 154780665) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 2-(2-methylphenyl)-N-[2-(6-oxopyrimidin-1-yl)ethyl]propanamide.

Molecular Properties

Compound Name2-(2-methylphenyl)-N-[2-(6-oxopyrimidin-1-yl)ethyl]propanamide
PubChem CID154780665
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name2-(2-methylphenyl)-N-[2-(6-oxopyrimidin-1-yl)ethyl]propanamide
SMILESCc1ccccc1C(C)C(=O)NCCn1cnccc1=O
InChIInChI=1S/C16H19N3O2/c1-12-5-3-4-6-14(12)13(2)16(21)18-9-10-19-11-17-8-7-15(19)20/h3-8,11,13H,9-10H2,1-2H3,(H,18,21)
InChIKeyOQOWQELBLCLNPO-UHFFFAOYSA-N
XLogP1.47
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 ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-amino-2-(2-methylphenyl)ethyl]pyrimidin-4-one
CID 63768478
2-(3-fluorophenoxy)-N-[2-(6-oxopyrimidin-1-yl)ethyl]propanamide
CID 121121481
2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]-N-[2-(6-oxopyrimidin-1-yl)ethyl]propanamide
CID 121121614
1-(4-chlorophenyl)-3-[2-(6-oxopyrimidin-1-yl)ethyl]urea
CID 121121634
(2R)-N-methyl-2-(2-methylphenyl)propanamide
CID 97305047
N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]-2,2-diphenylacetamide
CID 121121241
2-cyclopentyl-N-[2-(6-oxopyrimidin-1-yl)ethyl]acetamide
CID 121121461
2-(3-chlorophenoxy)-N-[2-(6-oxopyrimidin-1-yl)ethyl]acetamide
CID 121121501
3-propylpyrimidin-4-one
CID 115679465
3-(2-phenylethyl)pyrimidin-4-one
CID 68623942
3-(2-hydroxypropyl)pyrimidin-4-one
CID 63770069
N-[1-(3-imidazol-1-ylpropylamino)-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide
CID 51155778

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)-N-[2-(6-oxopyrimidin-1-yl)ethyl]propanamide?
The IUPAC name of 2-(2-methylphenyl)-N-[2-(6-oxopyrimidin-1-yl)ethyl]propanamide (CID 154780665) is 2-(2-methylphenyl)-N-[2-(6-oxopyrimidin-1-yl)ethyl]propanamide.
What is the SMILES notation for 2-(2-methylphenyl)-N-[2-(6-oxopyrimidin-1-yl)ethyl]propanamide?
The canonical SMILES for 2-(2-methylphenyl)-N-[2-(6-oxopyrimidin-1-yl)ethyl]propanamide is Cc1ccccc1C(C)C(=O)NCCn1cnccc1=O.
What is the InChIKey of 2-(2-methylphenyl)-N-[2-(6-oxopyrimidin-1-yl)ethyl]propanamide?
The InChIKey is OQOWQELBLCLNPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-12-5-3-4-6-14(12)13(2)16(21)18-9-10-19-11-17-8-7-15(19)20/h3-8,11,13H,9-10H2,1-2H3,(H,18,21).
What are the key properties of 2-(2-methylphenyl)-N-[2-(6-oxopyrimidin-1-yl)ethyl]propanamide?
2-(2-methylphenyl)-N-[2-(6-oxopyrimidin-1-yl)ethyl]propanamide has a molecular weight of 285.35 g/mol, XLogP of 1.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)-N-[2-(6-oxopyrimidin-1-yl)ethyl]propanamide is sourced from PubChem (CID 154780665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).