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

C10H13Cl2N3O2 — CID 114583174

IUPAC2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N,N-diethylacetamide
SMILESCCN(CC)C(=O)Cn1cnc(Cl)c(Cl)c1=O
InChIInChI=1S/C10H13Cl2N3O2/c1-3-14(4-2)7(16)5-15-6-13-9(12)8(11)10(15)17/h6H,3-5H2,1-2H3
InChIKeyQVNROYJZSXRQAR-UHFFFAOYSA-N
MW278.14 g/mol
LogP1.42
Rot. Bonds4

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

2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N,N-diethylacetamide (PubChem CID 114583174) has the molecular formula C10H13Cl2N3O2 and a molecular weight of 278.14 g/mol. Its IUPAC name is 2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N,N-diethylacetamide.

Molecular Properties

Compound Name2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N,N-diethylacetamide
PubChem CID114583174
Molecular FormulaC10H13Cl2N3O2
Molecular Weight278.14 g/mol
Exact Mass277.04
IUPAC Name2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N,N-diethylacetamide
SMILESCCN(CC)C(=O)Cn1cnc(Cl)c(Cl)c1=O
InChIInChI=1S/C10H13Cl2N3O2/c1-3-14(4-2)7(16)5-15-6-13-9(12)8(11)10(15)17/h6H,3-5H2,1-2H3
InChIKeyQVNROYJZSXRQAR-UHFFFAOYSA-N
XLogP1.42
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.14
LogP ≤ 51.42
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,N-diethylacetamide?
The IUPAC name of 2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N,N-diethylacetamide (CID 114583174) is 2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N,N-diethylacetamide.
What is the SMILES notation for 2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N,N-diethylacetamide?
The canonical SMILES for 2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N,N-diethylacetamide is CCN(CC)C(=O)Cn1cnc(Cl)c(Cl)c1=O.
What is the InChIKey of 2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N,N-diethylacetamide?
The InChIKey is QVNROYJZSXRQAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Cl2N3O2/c1-3-14(4-2)7(16)5-15-6-13-9(12)8(11)10(15)17/h6H,3-5H2,1-2H3.
What are the key properties of 2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N,N-diethylacetamide?
2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N,N-diethylacetamide has a molecular weight of 278.14 g/mol, XLogP of 1.42, 4 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,N-diethylacetamide is sourced from PubChem (CID 114583174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).