N-(6-oxo-1H-pyrimidin-5-yl)propanamide

C7H9N3O2 — CID 130249193

IUPACN-(6-oxo-1H-pyrimidin-5-yl)propanamide
SMILESCCC(=O)Nc1cnc[nH]c1=O
InChIInChI=1S/C7H9N3O2/c1-2-6(11)10-5-3-8-4-9-7(5)12/h3-4H,2H2,1H3,(H,10,11)(H,8,9,12)
InChIKeyZRRDZZVVBDFRJK-UHFFFAOYSA-N
MW167.17 g/mol
LogP0.12
Rot. Bonds2

About N-(6-oxo-1H-pyrimidin-5-yl)propanamide

N-(6-oxo-1H-pyrimidin-5-yl)propanamide (PubChem CID 130249193) has the molecular formula C7H9N3O2 and a molecular weight of 167.17 g/mol. Its IUPAC name is N-(6-oxo-1H-pyrimidin-5-yl)propanamide.

Molecular Properties

Compound NameN-(6-oxo-1H-pyrimidin-5-yl)propanamide
PubChem CID130249193
Molecular FormulaC7H9N3O2
Molecular Weight167.17 g/mol
Exact Mass167.07
IUPAC NameN-(6-oxo-1H-pyrimidin-5-yl)propanamide
SMILESCCC(=O)Nc1cnc[nH]c1=O
InChIInChI=1S/C7H9N3O2/c1-2-6(11)10-5-3-8-4-9-7(5)12/h3-4H,2H2,1H3,(H,10,11)(H,8,9,12)
InChIKeyZRRDZZVVBDFRJK-UHFFFAOYSA-N
XLogP0.12
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.17
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(6-oxo-1H-pyrimidin-5-yl)propanamide?
The IUPAC name of N-(6-oxo-1H-pyrimidin-5-yl)propanamide (CID 130249193) is N-(6-oxo-1H-pyrimidin-5-yl)propanamide.
What is the SMILES notation for N-(6-oxo-1H-pyrimidin-5-yl)propanamide?
The canonical SMILES for N-(6-oxo-1H-pyrimidin-5-yl)propanamide is CCC(=O)Nc1cnc[nH]c1=O.
What is the InChIKey of N-(6-oxo-1H-pyrimidin-5-yl)propanamide?
The InChIKey is ZRRDZZVVBDFRJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O2/c1-2-6(11)10-5-3-8-4-9-7(5)12/h3-4H,2H2,1H3,(H,10,11)(H,8,9,12).
What are the key properties of N-(6-oxo-1H-pyrimidin-5-yl)propanamide?
N-(6-oxo-1H-pyrimidin-5-yl)propanamide has a molecular weight of 167.17 g/mol, XLogP of 0.12, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-oxo-1H-pyrimidin-5-yl)propanamide is sourced from PubChem (CID 130249193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).