3-(6-oxopyrimidin-1-yl)propanamide

C7H9N3O2 — CID 63770432

IUPAC3-(6-oxopyrimidin-1-yl)propanamide
SMILESNC(=O)CCn1cnccc1=O
InChIInChI=1S/C7H9N3O2/c8-6(11)2-4-10-5-9-3-1-7(10)12/h1,3,5H,2,4H2,(H2,8,11)
InChIKeyQPPHLHPCMIPUDP-UHFFFAOYSA-N
MW167.17 g/mol
LogP-0.88
Rot. Bonds3

About 3-(6-oxopyrimidin-1-yl)propanamide

3-(6-oxopyrimidin-1-yl)propanamide (PubChem CID 63770432) has the molecular formula C7H9N3O2 and a molecular weight of 167.17 g/mol. Its IUPAC name is 3-(6-oxopyrimidin-1-yl)propanamide.

Molecular Properties

Compound Name3-(6-oxopyrimidin-1-yl)propanamide
PubChem CID63770432
Molecular FormulaC7H9N3O2
Molecular Weight167.17 g/mol
Exact Mass167.07
IUPAC Name3-(6-oxopyrimidin-1-yl)propanamide
SMILESNC(=O)CCn1cnccc1=O
InChIInChI=1S/C7H9N3O2/c8-6(11)2-4-10-5-9-3-1-7(10)12/h1,3,5H,2,4H2,(H2,8,11)
InChIKeyQPPHLHPCMIPUDP-UHFFFAOYSA-N
XLogP-0.88
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.17
LogP ≤ 5-0.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(6-oxopyrimidin-1-yl)propanamide?
The IUPAC name of 3-(6-oxopyrimidin-1-yl)propanamide (CID 63770432) is 3-(6-oxopyrimidin-1-yl)propanamide.
What is the SMILES notation for 3-(6-oxopyrimidin-1-yl)propanamide?
The canonical SMILES for 3-(6-oxopyrimidin-1-yl)propanamide is NC(=O)CCn1cnccc1=O.
What is the InChIKey of 3-(6-oxopyrimidin-1-yl)propanamide?
The InChIKey is QPPHLHPCMIPUDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O2/c8-6(11)2-4-10-5-9-3-1-7(10)12/h1,3,5H,2,4H2,(H2,8,11).
What are the key properties of 3-(6-oxopyrimidin-1-yl)propanamide?
3-(6-oxopyrimidin-1-yl)propanamide has a molecular weight of 167.17 g/mol, XLogP of -0.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-oxopyrimidin-1-yl)propanamide is sourced from PubChem (CID 63770432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).