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

C10H15N3O2 — CID 146521657

IUPAC2-methyl-N-[2-(2-oxo-1H-pyrimidin-6-yl)ethyl]propanamide
SMILESCC(C)C(=O)NCCc1ccnc(=O)[nH]1
InChIInChI=1S/C10H15N3O2/c1-7(2)9(14)11-5-3-8-4-6-12-10(15)13-8/h4,6-7H,3,5H2,1-2H3,(H,11,14)(H,12,13,15)
InChIKeyVBRRJROIEANYOV-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.08
Rot. Bonds4

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

2-methyl-N-[2-(2-oxo-1H-pyrimidin-6-yl)ethyl]propanamide (PubChem CID 146521657) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 2-methyl-N-[2-(2-oxo-1H-pyrimidin-6-yl)ethyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[2-(2-oxo-1H-pyrimidin-6-yl)ethyl]propanamide
PubChem CID146521657
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name2-methyl-N-[2-(2-oxo-1H-pyrimidin-6-yl)ethyl]propanamide
SMILESCC(C)C(=O)NCCc1ccnc(=O)[nH]1
InChIInChI=1S/C10H15N3O2/c1-7(2)9(14)11-5-3-8-4-6-12-10(15)13-8/h4,6-7H,3,5H2,1-2H3,(H,11,14)(H,12,13,15)
InChIKeyVBRRJROIEANYOV-UHFFFAOYSA-N
XLogP0.08
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(2-oxo-1H-pyrimidin-6-yl)ethyl]propanamide?
The IUPAC name of 2-methyl-N-[2-(2-oxo-1H-pyrimidin-6-yl)ethyl]propanamide (CID 146521657) is 2-methyl-N-[2-(2-oxo-1H-pyrimidin-6-yl)ethyl]propanamide.
What is the SMILES notation for 2-methyl-N-[2-(2-oxo-1H-pyrimidin-6-yl)ethyl]propanamide?
The canonical SMILES for 2-methyl-N-[2-(2-oxo-1H-pyrimidin-6-yl)ethyl]propanamide is CC(C)C(=O)NCCc1ccnc(=O)[nH]1.
What is the InChIKey of 2-methyl-N-[2-(2-oxo-1H-pyrimidin-6-yl)ethyl]propanamide?
The InChIKey is VBRRJROIEANYOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-7(2)9(14)11-5-3-8-4-6-12-10(15)13-8/h4,6-7H,3,5H2,1-2H3,(H,11,14)(H,12,13,15).
What are the key properties of 2-methyl-N-[2-(2-oxo-1H-pyrimidin-6-yl)ethyl]propanamide?
2-methyl-N-[2-(2-oxo-1H-pyrimidin-6-yl)ethyl]propanamide has a molecular weight of 209.25 g/mol, XLogP of 0.08, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(2-oxo-1H-pyrimidin-6-yl)ethyl]propanamide is sourced from PubChem (CID 146521657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).