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

C10H14BrN3O2 — CID 66310850

IUPAC2-(5-bromo-6-oxopyrimidin-1-yl)-N,N-diethylacetamide
SMILESCCN(CC)C(=O)Cn1cncc(Br)c1=O
InChIInChI=1S/C10H14BrN3O2/c1-3-13(4-2)9(15)6-14-7-12-5-8(11)10(14)16/h5,7H,3-4,6H2,1-2H3
InChIKeyHWGVTLKXRKGQPQ-UHFFFAOYSA-N
MW288.14 g/mol
LogP0.87
Rot. Bonds4

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

2-(5-bromo-6-oxopyrimidin-1-yl)-N,N-diethylacetamide (PubChem CID 66310850) has the molecular formula C10H14BrN3O2 and a molecular weight of 288.14 g/mol. Its IUPAC name is 2-(5-bromo-6-oxopyrimidin-1-yl)-N,N-diethylacetamide.

Molecular Properties

Compound Name2-(5-bromo-6-oxopyrimidin-1-yl)-N,N-diethylacetamide
PubChem CID66310850
Molecular FormulaC10H14BrN3O2
Molecular Weight288.14 g/mol
Exact Mass287.03
IUPAC Name2-(5-bromo-6-oxopyrimidin-1-yl)-N,N-diethylacetamide
SMILESCCN(CC)C(=O)Cn1cncc(Br)c1=O
InChIInChI=1S/C10H14BrN3O2/c1-3-13(4-2)9(15)6-14-7-12-5-8(11)10(14)16/h5,7H,3-4,6H2,1-2H3
InChIKeyHWGVTLKXRKGQPQ-UHFFFAOYSA-N
XLogP0.87
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.14
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-6-oxopyrimidin-1-yl)-N,N-diethylacetamide?
The IUPAC name of 2-(5-bromo-6-oxopyrimidin-1-yl)-N,N-diethylacetamide (CID 66310850) is 2-(5-bromo-6-oxopyrimidin-1-yl)-N,N-diethylacetamide.
What is the SMILES notation for 2-(5-bromo-6-oxopyrimidin-1-yl)-N,N-diethylacetamide?
The canonical SMILES for 2-(5-bromo-6-oxopyrimidin-1-yl)-N,N-diethylacetamide is CCN(CC)C(=O)Cn1cncc(Br)c1=O.
What is the InChIKey of 2-(5-bromo-6-oxopyrimidin-1-yl)-N,N-diethylacetamide?
The InChIKey is HWGVTLKXRKGQPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrN3O2/c1-3-13(4-2)9(15)6-14-7-12-5-8(11)10(14)16/h5,7H,3-4,6H2,1-2H3.
What are the key properties of 2-(5-bromo-6-oxopyrimidin-1-yl)-N,N-diethylacetamide?
2-(5-bromo-6-oxopyrimidin-1-yl)-N,N-diethylacetamide has a molecular weight of 288.14 g/mol, XLogP of 0.87, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-6-oxopyrimidin-1-yl)-N,N-diethylacetamide is sourced from PubChem (CID 66310850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).