2-(4-methyl-6-oxopyrimidin-1-yl)-N-(3-phenylpropyl)acetamide

C16H19N3O2 — CID 121064050

IUPAC2-(4-methyl-6-oxopyrimidin-1-yl)-N-(3-phenylpropyl)acetamide
SMILESCc1cc(=O)n(CC(=O)NCCCc2ccccc2)cn1
InChIInChI=1S/C16H19N3O2/c1-13-10-16(21)19(12-18-13)11-15(20)17-9-5-8-14-6-3-2-4-7-14/h2-4,6-7,10,12H,5,8-9,11H2,1H3,(H,17,20)
InChIKeyMBADBFLGBMDRDX-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.30
Rot. Bonds6

About 2-(4-methyl-6-oxopyrimidin-1-yl)-N-(3-phenylpropyl)acetamide

2-(4-methyl-6-oxopyrimidin-1-yl)-N-(3-phenylpropyl)acetamide (PubChem CID 121064050) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 2-(4-methyl-6-oxopyrimidin-1-yl)-N-(3-phenylpropyl)acetamide.

Molecular Properties

Compound Name2-(4-methyl-6-oxopyrimidin-1-yl)-N-(3-phenylpropyl)acetamide
PubChem CID121064050
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name2-(4-methyl-6-oxopyrimidin-1-yl)-N-(3-phenylpropyl)acetamide
SMILESCc1cc(=O)n(CC(=O)NCCCc2ccccc2)cn1
InChIInChI=1S/C16H19N3O2/c1-13-10-16(21)19(12-18-13)11-15(20)17-9-5-8-14-6-3-2-4-7-14/h2-4,6-7,10,12H,5,8-9,11H2,1H3,(H,17,20)
InChIKeyMBADBFLGBMDRDX-UHFFFAOYSA-N
XLogP1.30
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(5,6-dimethylbenzimidazol-1-yl)-N-(3-phenylpropyl)acetamide
CID 32514079
2-(1,3-dioxoisoindol-2-yl)-N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]acetamide
CID 121119335
2-(4-oxo-5H-pyrimido[5,4-b]indol-3-yl)-N-(3-phenylpropyl)acetamide
CID 18525561
N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-2-(4-methyl-6-oxopyrimidin-1-yl)acetamide
CID 121120827
2-(4-methyl-6-oxopyrimidin-1-yl)-N-[(6-phenylpyrimidin-4-yl)methyl]acetamide
CID 122261950
2-(4-methyl-6-oxopyrimidin-1-yl)-N-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]acetamide
CID 122307526
N-(furan-2-ylmethyl)-2-(4-methyl-6-oxopyrimidin-1-yl)acetamide
CID 45496929
6-methyl-3-[2-(2-methylphenyl)-2-oxoethyl]pyrimidin-4-one
CID 62024868
N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]-2-(6-oxo-4-phenylpyrimidin-1-yl)acetamide
CID 121059005
2-(4,8-dimethyl-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)-N-(3-phenylpropyl)acetamide
CID 20884684
2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]-N-(3-phenylpropyl)acetamide
CID 34362524
2-[5-(furan-2-yl)-3-methylpyrazol-1-yl]-N-(3-phenylpropyl)acetamide
CID 5308195

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-6-oxopyrimidin-1-yl)-N-(3-phenylpropyl)acetamide?
The IUPAC name of 2-(4-methyl-6-oxopyrimidin-1-yl)-N-(3-phenylpropyl)acetamide (CID 121064050) is 2-(4-methyl-6-oxopyrimidin-1-yl)-N-(3-phenylpropyl)acetamide.
What is the SMILES notation for 2-(4-methyl-6-oxopyrimidin-1-yl)-N-(3-phenylpropyl)acetamide?
The canonical SMILES for 2-(4-methyl-6-oxopyrimidin-1-yl)-N-(3-phenylpropyl)acetamide is Cc1cc(=O)n(CC(=O)NCCCc2ccccc2)cn1.
What is the InChIKey of 2-(4-methyl-6-oxopyrimidin-1-yl)-N-(3-phenylpropyl)acetamide?
The InChIKey is MBADBFLGBMDRDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-13-10-16(21)19(12-18-13)11-15(20)17-9-5-8-14-6-3-2-4-7-14/h2-4,6-7,10,12H,5,8-9,11H2,1H3,(H,17,20).
What are the key properties of 2-(4-methyl-6-oxopyrimidin-1-yl)-N-(3-phenylpropyl)acetamide?
2-(4-methyl-6-oxopyrimidin-1-yl)-N-(3-phenylpropyl)acetamide has a molecular weight of 285.35 g/mol, XLogP of 1.30, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-6-oxopyrimidin-1-yl)-N-(3-phenylpropyl)acetamide is sourced from PubChem (CID 121064050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).