2-methyl-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]propanamide

C11H17N3O2 — CID 137301596

IUPAC2-methyl-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]propanamide
SMILESCc1cc(=O)[nH]c(C(C)NC(=O)C(C)C)n1
InChIInChI=1S/C11H17N3O2/c1-6(2)11(16)13-8(4)10-12-7(3)5-9(15)14-10/h5-6,8H,1-4H3,(H,13,16)(H,12,14,15)
InChIKeyGMHBMMXHQCHTQV-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.91
Rot. Bonds3

About 2-methyl-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]propanamide

2-methyl-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]propanamide (PubChem CID 137301596) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 2-methyl-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]propanamide
PubChem CID137301596
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name2-methyl-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]propanamide
SMILESCc1cc(=O)[nH]c(C(C)NC(=O)C(C)C)n1
InChIInChI=1S/C11H17N3O2/c1-6(2)11(16)13-8(4)10-12-7(3)5-9(15)14-10/h5-6,8H,1-4H3,(H,13,16)(H,12,14,15)
InChIKeyGMHBMMXHQCHTQV-UHFFFAOYSA-N
XLogP0.91
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]propanamide?
The IUPAC name of 2-methyl-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]propanamide (CID 137301596) is 2-methyl-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]propanamide.
What is the SMILES notation for 2-methyl-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]propanamide?
The canonical SMILES for 2-methyl-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]propanamide is Cc1cc(=O)[nH]c(C(C)NC(=O)C(C)C)n1.
What is the InChIKey of 2-methyl-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]propanamide?
The InChIKey is GMHBMMXHQCHTQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-6(2)11(16)13-8(4)10-12-7(3)5-9(15)14-10/h5-6,8H,1-4H3,(H,13,16)(H,12,14,15).
What are the key properties of 2-methyl-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]propanamide?
2-methyl-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]propanamide has a molecular weight of 223.28 g/mol, XLogP of 0.91, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]propanamide is sourced from PubChem (CID 137301596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).