N-[3-methyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)butyl]acetamide

C12H19N3O2 — CID 137301598

IUPACN-[3-methyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)butyl]acetamide
SMILESCC(=O)NC(CC(C)C)c1nc(C)cc(=O)[nH]1
InChIInChI=1S/C12H19N3O2/c1-7(2)5-10(14-9(4)16)12-13-8(3)6-11(17)15-12/h6-7,10H,5H2,1-4H3,(H,14,16)(H,13,15,17)
InChIKeyGLKLBGZDMNOJNW-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.30
Rot. Bonds4

About N-[3-methyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)butyl]acetamide

N-[3-methyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)butyl]acetamide (PubChem CID 137301598) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is N-[3-methyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)butyl]acetamide.

Molecular Properties

Compound NameN-[3-methyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)butyl]acetamide
PubChem CID137301598
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC NameN-[3-methyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)butyl]acetamide
SMILESCC(=O)NC(CC(C)C)c1nc(C)cc(=O)[nH]1
InChIInChI=1S/C12H19N3O2/c1-7(2)5-10(14-9(4)16)12-13-8(3)6-11(17)15-12/h6-7,10H,5H2,1-4H3,(H,14,16)(H,13,15,17)
InChIKeyGLKLBGZDMNOJNW-UHFFFAOYSA-N
XLogP1.30
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)butyl]acetamide?
The IUPAC name of N-[3-methyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)butyl]acetamide (CID 137301598) is N-[3-methyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)butyl]acetamide.
What is the SMILES notation for N-[3-methyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)butyl]acetamide?
The canonical SMILES for N-[3-methyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)butyl]acetamide is CC(=O)NC(CC(C)C)c1nc(C)cc(=O)[nH]1.
What is the InChIKey of N-[3-methyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)butyl]acetamide?
The InChIKey is GLKLBGZDMNOJNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-7(2)5-10(14-9(4)16)12-13-8(3)6-11(17)15-12/h6-7,10H,5H2,1-4H3,(H,14,16)(H,13,15,17).
What are the key properties of N-[3-methyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)butyl]acetamide?
N-[3-methyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)butyl]acetamide has a molecular weight of 237.30 g/mol, XLogP of 1.30, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)butyl]acetamide is sourced from PubChem (CID 137301598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).