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

C7H7Cl2N3O2 — CID 114582910

IUPAC2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-methylacetamide
SMILESCNC(=O)Cn1cnc(Cl)c(Cl)c1=O
InChIInChI=1S/C7H7Cl2N3O2/c1-10-4(13)2-12-3-11-6(9)5(8)7(12)14/h3H,2H2,1H3,(H,10,13)
InChIKeyRMLPTIKIYCSABL-UHFFFAOYSA-N
MW236.06 g/mol
LogP0.30
Rot. Bonds2

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

2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-methylacetamide (PubChem CID 114582910) has the molecular formula C7H7Cl2N3O2 and a molecular weight of 236.06 g/mol. Its IUPAC name is 2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-methylacetamide.

Molecular Properties

Compound Name2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-methylacetamide
PubChem CID114582910
Molecular FormulaC7H7Cl2N3O2
Molecular Weight236.06 g/mol
Exact Mass234.99
IUPAC Name2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-methylacetamide
SMILESCNC(=O)Cn1cnc(Cl)c(Cl)c1=O
InChIInChI=1S/C7H7Cl2N3O2/c1-10-4(13)2-12-3-11-6(9)5(8)7(12)14/h3H,2H2,1H3,(H,10,13)
InChIKeyRMLPTIKIYCSABL-UHFFFAOYSA-N
XLogP0.30
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.06
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-methylacetamide?
The IUPAC name of 2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-methylacetamide (CID 114582910) is 2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-methylacetamide.
What is the SMILES notation for 2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-methylacetamide?
The canonical SMILES for 2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-methylacetamide is CNC(=O)Cn1cnc(Cl)c(Cl)c1=O.
What is the InChIKey of 2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-methylacetamide?
The InChIKey is RMLPTIKIYCSABL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7Cl2N3O2/c1-10-4(13)2-12-3-11-6(9)5(8)7(12)14/h3H,2H2,1H3,(H,10,13).
What are the key properties of 2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-methylacetamide?
2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-methylacetamide has a molecular weight of 236.06 g/mol, XLogP of 0.30, 2 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-methylacetamide is sourced from PubChem (CID 114582910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).