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

C9H11Cl2N3O2 — CID 114583155

IUPAC2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-ethyl-N-methylacetamide
SMILESCCN(C)C(=O)Cn1cnc(Cl)c(Cl)c1=O
InChIInChI=1S/C9H11Cl2N3O2/c1-3-13(2)6(15)4-14-5-12-8(11)7(10)9(14)16/h5H,3-4H2,1-2H3
InChIKeyLBGWDIRTQPXNAO-UHFFFAOYSA-N
MW264.11 g/mol
LogP1.03
Rot. Bonds3

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

2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-ethyl-N-methylacetamide (PubChem CID 114583155) has the molecular formula C9H11Cl2N3O2 and a molecular weight of 264.11 g/mol. Its IUPAC name is 2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-ethyl-N-methylacetamide.

Molecular Properties

Compound Name2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-ethyl-N-methylacetamide
PubChem CID114583155
Molecular FormulaC9H11Cl2N3O2
Molecular Weight264.11 g/mol
Exact Mass263.02
IUPAC Name2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-ethyl-N-methylacetamide
SMILESCCN(C)C(=O)Cn1cnc(Cl)c(Cl)c1=O
InChIInChI=1S/C9H11Cl2N3O2/c1-3-13(2)6(15)4-14-5-12-8(11)7(10)9(14)16/h5H,3-4H2,1-2H3
InChIKeyLBGWDIRTQPXNAO-UHFFFAOYSA-N
XLogP1.03
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.11
LogP ≤ 51.03
H-Bond Donors ≤ 50
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-ethyl-N-methylacetamide?
The IUPAC name of 2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-ethyl-N-methylacetamide (CID 114583155) is 2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-ethyl-N-methylacetamide.
What is the SMILES notation for 2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-ethyl-N-methylacetamide?
The canonical SMILES for 2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-ethyl-N-methylacetamide is CCN(C)C(=O)Cn1cnc(Cl)c(Cl)c1=O.
What is the InChIKey of 2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-ethyl-N-methylacetamide?
The InChIKey is LBGWDIRTQPXNAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11Cl2N3O2/c1-3-13(2)6(15)4-14-5-12-8(11)7(10)9(14)16/h5H,3-4H2,1-2H3.
What are the key properties of 2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-ethyl-N-methylacetamide?
2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-ethyl-N-methylacetamide has a molecular weight of 264.11 g/mol, XLogP of 1.03, 3 rotatable bonds, 0 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-ethyl-N-methylacetamide is sourced from PubChem (CID 114583155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).