N-(5-acetyl-2,6-dimethylpyrimidin-4-yl)-2-methylpropanamide

C12H17N3O2 — CID 726947

IUPACN-(5-acetyl-2,6-dimethylpyrimidin-4-yl)-2-methylpropanamide
SMILESCC(=O)c1c(C)nc(C)nc1NC(=O)C(C)C
InChIInChI=1S/C12H17N3O2/c1-6(2)12(17)15-11-10(8(4)16)7(3)13-9(5)14-11/h6H,1-5H3,(H,13,14,15,17)
InChIKeyGODJAZQSSWKXQK-UHFFFAOYSA-N
MW235.29 g/mol
LogP1.89
Rot. Bonds3

About N-(5-acetyl-2,6-dimethylpyrimidin-4-yl)-2-methylpropanamide

N-(5-acetyl-2,6-dimethylpyrimidin-4-yl)-2-methylpropanamide (PubChem CID 726947) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is N-(5-acetyl-2,6-dimethylpyrimidin-4-yl)-2-methylpropanamide.

Molecular Properties

Compound NameN-(5-acetyl-2,6-dimethylpyrimidin-4-yl)-2-methylpropanamide
PubChem CID726947
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC NameN-(5-acetyl-2,6-dimethylpyrimidin-4-yl)-2-methylpropanamide
SMILESCC(=O)c1c(C)nc(C)nc1NC(=O)C(C)C
InChIInChI=1S/C12H17N3O2/c1-6(2)12(17)15-11-10(8(4)16)7(3)13-9(5)14-11/h6H,1-5H3,(H,13,14,15,17)
InChIKeyGODJAZQSSWKXQK-UHFFFAOYSA-N
XLogP1.89
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-acetyl-2,6-dimethylpyrimidin-4-yl)-2-methylpropanamide?
The IUPAC name of N-(5-acetyl-2,6-dimethylpyrimidin-4-yl)-2-methylpropanamide (CID 726947) is N-(5-acetyl-2,6-dimethylpyrimidin-4-yl)-2-methylpropanamide.
What is the SMILES notation for N-(5-acetyl-2,6-dimethylpyrimidin-4-yl)-2-methylpropanamide?
The canonical SMILES for N-(5-acetyl-2,6-dimethylpyrimidin-4-yl)-2-methylpropanamide is CC(=O)c1c(C)nc(C)nc1NC(=O)C(C)C.
What is the InChIKey of N-(5-acetyl-2,6-dimethylpyrimidin-4-yl)-2-methylpropanamide?
The InChIKey is GODJAZQSSWKXQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-6(2)12(17)15-11-10(8(4)16)7(3)13-9(5)14-11/h6H,1-5H3,(H,13,14,15,17).
What are the key properties of N-(5-acetyl-2,6-dimethylpyrimidin-4-yl)-2-methylpropanamide?
N-(5-acetyl-2,6-dimethylpyrimidin-4-yl)-2-methylpropanamide has a molecular weight of 235.29 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetyl-2,6-dimethylpyrimidin-4-yl)-2-methylpropanamide is sourced from PubChem (CID 726947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).