N-(2-methylpyrimidin-5-yl)propanamide

C8H11N3O — CID 126991142

IUPACN-(2-methylpyrimidin-5-yl)propanamide
SMILESCCC(=O)Nc1cnc(C)nc1
InChIInChI=1S/C8H11N3O/c1-3-8(12)11-7-4-9-6(2)10-5-7/h4-5H,3H2,1-2H3,(H,11,12)
InChIKeyFGDIXUKKWMCJCI-UHFFFAOYSA-N
MW165.20 g/mol
LogP1.13
Rot. Bonds2

About N-(2-methylpyrimidin-5-yl)propanamide

N-(2-methylpyrimidin-5-yl)propanamide (PubChem CID 126991142) has the molecular formula C8H11N3O and a molecular weight of 165.20 g/mol. Its IUPAC name is N-(2-methylpyrimidin-5-yl)propanamide.

Molecular Properties

Compound NameN-(2-methylpyrimidin-5-yl)propanamide
PubChem CID126991142
Molecular FormulaC8H11N3O
Molecular Weight165.20 g/mol
Exact Mass165.09
IUPAC NameN-(2-methylpyrimidin-5-yl)propanamide
SMILESCCC(=O)Nc1cnc(C)nc1
InChIInChI=1S/C8H11N3O/c1-3-8(12)11-7-4-9-6(2)10-5-7/h4-5H,3H2,1-2H3,(H,11,12)
InChIKeyFGDIXUKKWMCJCI-UHFFFAOYSA-N
XLogP1.13
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.20
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylpyrimidin-5-yl)propanamide?
The IUPAC name of N-(2-methylpyrimidin-5-yl)propanamide (CID 126991142) is N-(2-methylpyrimidin-5-yl)propanamide.
What is the SMILES notation for N-(2-methylpyrimidin-5-yl)propanamide?
The canonical SMILES for N-(2-methylpyrimidin-5-yl)propanamide is CCC(=O)Nc1cnc(C)nc1.
What is the InChIKey of N-(2-methylpyrimidin-5-yl)propanamide?
The InChIKey is FGDIXUKKWMCJCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O/c1-3-8(12)11-7-4-9-6(2)10-5-7/h4-5H,3H2,1-2H3,(H,11,12).
What are the key properties of N-(2-methylpyrimidin-5-yl)propanamide?
N-(2-methylpyrimidin-5-yl)propanamide has a molecular weight of 165.20 g/mol, XLogP of 1.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpyrimidin-5-yl)propanamide is sourced from PubChem (CID 126991142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).