2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-prop-2-enylacetamide

C9H9Cl2N3O2 — CID 114582911

IUPAC2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-prop-2-enylacetamide
SMILESC=CCNC(=O)Cn1cnc(Cl)c(Cl)c1=O
InChIInChI=1S/C9H9Cl2N3O2/c1-2-3-12-6(15)4-14-5-13-8(11)7(10)9(14)16/h2,5H,1,3-4H2,(H,12,15)
InChIKeyXUDNDOFHRKUCPL-UHFFFAOYSA-N
MW262.10 g/mol
LogP0.85
Rot. Bonds4

About 2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-prop-2-enylacetamide

2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-prop-2-enylacetamide (PubChem CID 114582911) has the molecular formula C9H9Cl2N3O2 and a molecular weight of 262.10 g/mol. Its IUPAC name is 2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-prop-2-enylacetamide
PubChem CID114582911
Molecular FormulaC9H9Cl2N3O2
Molecular Weight262.10 g/mol
Exact Mass261.01
IUPAC Name2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-prop-2-enylacetamide
SMILESC=CCNC(=O)Cn1cnc(Cl)c(Cl)c1=O
InChIInChI=1S/C9H9Cl2N3O2/c1-2-3-12-6(15)4-14-5-13-8(11)7(10)9(14)16/h2,5H,1,3-4H2,(H,12,15)
InChIKeyXUDNDOFHRKUCPL-UHFFFAOYSA-N
XLogP0.85
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.10
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-prop-2-enylacetamide?
The IUPAC name of 2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-prop-2-enylacetamide (CID 114582911) is 2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-prop-2-enylacetamide.
What is the SMILES notation for 2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-prop-2-enylacetamide?
The canonical SMILES for 2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-prop-2-enylacetamide is C=CCNC(=O)Cn1cnc(Cl)c(Cl)c1=O.
What is the InChIKey of 2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-prop-2-enylacetamide?
The InChIKey is XUDNDOFHRKUCPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Cl2N3O2/c1-2-3-12-6(15)4-14-5-13-8(11)7(10)9(14)16/h2,5H,1,3-4H2,(H,12,15).
What are the key properties of 2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-prop-2-enylacetamide?
2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-prop-2-enylacetamide has a molecular weight of 262.10 g/mol, XLogP of 0.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-prop-2-enylacetamide is sourced from PubChem (CID 114582911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).