2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(2-methylprop-2-enyl)acetamide

C12H17N3O2 — CID 114618580

IUPAC2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(2-methylprop-2-enyl)acetamide
SMILESC=C(C)CNC(=O)Cc1c(C)nc(=O)[nH]c1C
InChIInChI=1S/C12H17N3O2/c1-7(2)6-13-11(16)5-10-8(3)14-12(17)15-9(10)4/h1,5-6H2,2-4H3,(H,13,16)(H,14,15,17)
InChIKeyFHNSXQFTAHBEPV-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.62
Rot. Bonds4

About 2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(2-methylprop-2-enyl)acetamide

2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(2-methylprop-2-enyl)acetamide (PubChem CID 114618580) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(2-methylprop-2-enyl)acetamide.

Molecular Properties

Compound Name2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(2-methylprop-2-enyl)acetamide
PubChem CID114618580
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(2-methylprop-2-enyl)acetamide
SMILESC=C(C)CNC(=O)Cc1c(C)nc(=O)[nH]c1C
InChIInChI=1S/C12H17N3O2/c1-7(2)6-13-11(16)5-10-8(3)14-12(17)15-9(10)4/h1,5-6H2,2-4H3,(H,13,16)(H,14,15,17)
InChIKeyFHNSXQFTAHBEPV-UHFFFAOYSA-N
XLogP0.62
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(2-methylprop-2-enyl)acetamide?
The IUPAC name of 2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(2-methylprop-2-enyl)acetamide (CID 114618580) is 2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(2-methylprop-2-enyl)acetamide.
What is the SMILES notation for 2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(2-methylprop-2-enyl)acetamide?
The canonical SMILES for 2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(2-methylprop-2-enyl)acetamide is C=C(C)CNC(=O)Cc1c(C)nc(=O)[nH]c1C.
What is the InChIKey of 2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(2-methylprop-2-enyl)acetamide?
The InChIKey is FHNSXQFTAHBEPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-7(2)6-13-11(16)5-10-8(3)14-12(17)15-9(10)4/h1,5-6H2,2-4H3,(H,13,16)(H,14,15,17).
What are the key properties of 2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(2-methylprop-2-enyl)acetamide?
2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(2-methylprop-2-enyl)acetamide has a molecular weight of 235.29 g/mol, XLogP of 0.62, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(2-methylprop-2-enyl)acetamide is sourced from PubChem (CID 114618580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).