3-(4-chloro-6-oxopyrimidin-1-yl)propanamide

C7H8ClN3O2 — CID 114582093

IUPAC3-(4-chloro-6-oxopyrimidin-1-yl)propanamide
SMILESNC(=O)CCn1cnc(Cl)cc1=O
InChIInChI=1S/C7H8ClN3O2/c8-5-3-7(13)11(4-10-5)2-1-6(9)12/h3-4H,1-2H2,(H2,9,12)
InChIKeyQJDWJFDUJDLFIA-UHFFFAOYSA-N
MW201.61 g/mol
LogP-0.23
Rot. Bonds3

About 3-(4-chloro-6-oxopyrimidin-1-yl)propanamide

3-(4-chloro-6-oxopyrimidin-1-yl)propanamide (PubChem CID 114582093) has the molecular formula C7H8ClN3O2 and a molecular weight of 201.61 g/mol. Its IUPAC name is 3-(4-chloro-6-oxopyrimidin-1-yl)propanamide.

Molecular Properties

Compound Name3-(4-chloro-6-oxopyrimidin-1-yl)propanamide
PubChem CID114582093
Molecular FormulaC7H8ClN3O2
Molecular Weight201.61 g/mol
Exact Mass201.03
IUPAC Name3-(4-chloro-6-oxopyrimidin-1-yl)propanamide
SMILESNC(=O)CCn1cnc(Cl)cc1=O
InChIInChI=1S/C7H8ClN3O2/c8-5-3-7(13)11(4-10-5)2-1-6(9)12/h3-4H,1-2H2,(H2,9,12)
InChIKeyQJDWJFDUJDLFIA-UHFFFAOYSA-N
XLogP-0.23
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.61
LogP ≤ 5-0.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-6-oxopyrimidin-1-yl)propanamide?
The IUPAC name of 3-(4-chloro-6-oxopyrimidin-1-yl)propanamide (CID 114582093) is 3-(4-chloro-6-oxopyrimidin-1-yl)propanamide.
What is the SMILES notation for 3-(4-chloro-6-oxopyrimidin-1-yl)propanamide?
The canonical SMILES for 3-(4-chloro-6-oxopyrimidin-1-yl)propanamide is NC(=O)CCn1cnc(Cl)cc1=O.
What is the InChIKey of 3-(4-chloro-6-oxopyrimidin-1-yl)propanamide?
The InChIKey is QJDWJFDUJDLFIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClN3O2/c8-5-3-7(13)11(4-10-5)2-1-6(9)12/h3-4H,1-2H2,(H2,9,12).
What are the key properties of 3-(4-chloro-6-oxopyrimidin-1-yl)propanamide?
3-(4-chloro-6-oxopyrimidin-1-yl)propanamide has a molecular weight of 201.61 g/mol, XLogP of -0.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-6-oxopyrimidin-1-yl)propanamide is sourced from PubChem (CID 114582093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).