N-(4-ethylphenyl)-2-(6-oxopyrimidin-1-yl)acetamide

C14H15N3O2 — CID 121064147

IUPACN-(4-ethylphenyl)-2-(6-oxopyrimidin-1-yl)acetamide
SMILESCCc1ccc(NC(=O)Cn2cnccc2=O)cc1
InChIInChI=1S/C14H15N3O2/c1-2-11-3-5-12(6-4-11)16-13(18)9-17-10-15-8-7-14(17)19/h3-8,10H,2,9H2,1H3,(H,16,18)
InChIKeyVNAVCDRYRGVYRJ-UHFFFAOYSA-N
MW257.29 g/mol
LogP1.44
Rot. Bonds4

About N-(4-ethylphenyl)-2-(6-oxopyrimidin-1-yl)acetamide

N-(4-ethylphenyl)-2-(6-oxopyrimidin-1-yl)acetamide (PubChem CID 121064147) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is N-(4-ethylphenyl)-2-(6-oxopyrimidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-2-(6-oxopyrimidin-1-yl)acetamide
PubChem CID121064147
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC NameN-(4-ethylphenyl)-2-(6-oxopyrimidin-1-yl)acetamide
SMILESCCc1ccc(NC(=O)Cn2cnccc2=O)cc1
InChIInChI=1S/C14H15N3O2/c1-2-11-3-5-12(6-4-11)16-13(18)9-17-10-15-8-7-14(17)19/h3-8,10H,2,9H2,1H3,(H,16,18)
InChIKeyVNAVCDRYRGVYRJ-UHFFFAOYSA-N
XLogP1.44
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(6-oxopyrimidin-1-yl)-N-phenylacetamide
CID 115679497
N-[4-(dimethylamino)phenyl]-2-(6-oxopyrimidin-1-yl)acetamide
CID 121064222
N-(4-methoxyphenyl)-2-(6-oxopyrimidin-1-yl)acetamide
CID 115679434
N-(3-fluorophenyl)-2-(6-oxopyrimidin-1-yl)acetamide
CID 115679426
N-(3-chlorophenyl)-2-(6-oxopyrimidin-1-yl)acetamide
CID 115679492
1-[2-(4-ethylanilino)-2-oxoethyl]-N-methyl-6-oxopyridine-3-carboxamide
CID 47505343
N-(4-ethylphenyl)-2-(4-oxopyrido[2,3-d]pyrimidin-3-yl)acetamide
CID 18165534
N-(cyanomethyl)-2-(6-oxopyrimidin-1-yl)acetamide
CID 115679462
N-(2-aminophenyl)-2-(6-oxopyrimidin-1-yl)acetamide
CID 63768463
2-[5-(5-ethyl-1,3,4-oxadiazol-2-yl)-2-oxo-1-pyridinyl]-N-(4-ethylphenyl)acetamide
CID 53173951
N-(4-butylphenyl)-2-(4-ethyl-6-oxopyrimidin-1-yl)acetamide
CID 121064337
N-(5-amino-2-methylphenyl)-2-(6-oxopyrimidin-1-yl)acetamide
CID 63769504

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-2-(6-oxopyrimidin-1-yl)acetamide?
The IUPAC name of N-(4-ethylphenyl)-2-(6-oxopyrimidin-1-yl)acetamide (CID 121064147) is N-(4-ethylphenyl)-2-(6-oxopyrimidin-1-yl)acetamide.
What is the SMILES notation for N-(4-ethylphenyl)-2-(6-oxopyrimidin-1-yl)acetamide?
The canonical SMILES for N-(4-ethylphenyl)-2-(6-oxopyrimidin-1-yl)acetamide is CCc1ccc(NC(=O)Cn2cnccc2=O)cc1.
What is the InChIKey of N-(4-ethylphenyl)-2-(6-oxopyrimidin-1-yl)acetamide?
The InChIKey is VNAVCDRYRGVYRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-2-11-3-5-12(6-4-11)16-13(18)9-17-10-15-8-7-14(17)19/h3-8,10H,2,9H2,1H3,(H,16,18).
What are the key properties of N-(4-ethylphenyl)-2-(6-oxopyrimidin-1-yl)acetamide?
N-(4-ethylphenyl)-2-(6-oxopyrimidin-1-yl)acetamide has a molecular weight of 257.29 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-2-(6-oxopyrimidin-1-yl)acetamide is sourced from PubChem (CID 121064147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).