2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-(2-methylphenyl)acetamide

C14H15N3O3 — CID 35177235

IUPAC2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-(2-methylphenyl)acetamide
SMILESCc1ccccc1NC(=O)Cn1cc(C)c(=O)[nH]c1=O
InChIInChI=1S/C14H15N3O3/c1-9-5-3-4-6-11(9)15-12(18)8-17-7-10(2)13(19)16-14(17)20/h3-7H,8H2,1-2H3,(H,15,18)(H,16,19,20)
InChIKeyNBLIJXNCBNFJNL-UHFFFAOYSA-N
MW273.29 g/mol
LogP0.79
Rot. Bonds3

About 2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-(2-methylphenyl)acetamide

2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-(2-methylphenyl)acetamide (PubChem CID 35177235) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is 2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-(2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-(2-methylphenyl)acetamide
PubChem CID35177235
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Name2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-(2-methylphenyl)acetamide
SMILESCc1ccccc1NC(=O)Cn1cc(C)c(=O)[nH]c1=O
InChIInChI=1S/C14H15N3O3/c1-9-5-3-4-6-11(9)15-12(18)8-17-7-10(2)13(19)16-14(17)20/h3-7H,8H2,1-2H3,(H,15,18)(H,16,19,20)
InChIKeyNBLIJXNCBNFJNL-UHFFFAOYSA-N
XLogP0.79
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetate
CID 3757668
2-(3-bromo-2-oxo-1-pyridinyl)-N-(2-methylphenyl)acetamide
CID 114760909
2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-(2-chlorophenyl)acetamide
CID 27448932
2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-(2-fluorophenyl)acetamide
CID 27449104
2-(5-amino-2,4-dioxopyrimidin-1-yl)-N-(2-fluorophenyl)acetamide
CID 63799556
(2S)-2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]-3-phenylpropanoic acid
CID 90182093
N-[(1R,2R)-1,3-dihydroxy-1-phenylpropan-2-yl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide
CID 102461846
2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-(2-pyridin-2-ylethyl)acetamide
CID 45280797
N-(2-methylphenyl)-2-(4-oxopiperidin-1-yl)acetamide
CID 24693967
N-(2-methylphenyl)-2-(2-oxo-3-propylimidazol-1-yl)acetamide
CID 116624762
ethane;N-(2-methylphenyl)-2-piperazin-1-ylacetamide
CID 142082017
2-[[2-[[2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)phenyl]methyl-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]acetyl]amino]phenyl]methyl-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]acetic acid
CID 101177699

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-(2-methylphenyl)acetamide?
The IUPAC name of 2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-(2-methylphenyl)acetamide (CID 35177235) is 2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-(2-methylphenyl)acetamide.
What is the SMILES notation for 2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-(2-methylphenyl)acetamide?
The canonical SMILES for 2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-(2-methylphenyl)acetamide is Cc1ccccc1NC(=O)Cn1cc(C)c(=O)[nH]c1=O.
What is the InChIKey of 2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-(2-methylphenyl)acetamide?
The InChIKey is NBLIJXNCBNFJNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-9-5-3-4-6-11(9)15-12(18)8-17-7-10(2)13(19)16-14(17)20/h3-7H,8H2,1-2H3,(H,15,18)(H,16,19,20).
What are the key properties of 2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-(2-methylphenyl)acetamide?
2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-(2-methylphenyl)acetamide has a molecular weight of 273.29 g/mol, XLogP of 0.79, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-(2-methylphenyl)acetamide is sourced from PubChem (CID 35177235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).