2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N-butylacetamide

C11H16BrN3O2 — CID 66309402

IUPAC2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N-butylacetamide
SMILESCCCCNC(=O)Cn1cnc(C)c(Br)c1=O
InChIInChI=1S/C11H16BrN3O2/c1-3-4-5-13-9(16)6-15-7-14-8(2)10(12)11(15)17/h7H,3-6H2,1-2H3,(H,13,16)
InChIKeyOZQRHMDAETWELY-UHFFFAOYSA-N
MW302.17 g/mol
LogP1.23
Rot. Bonds5

About 2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N-butylacetamide

2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N-butylacetamide (PubChem CID 66309402) has the molecular formula C11H16BrN3O2 and a molecular weight of 302.17 g/mol. Its IUPAC name is 2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N-butylacetamide.

Molecular Properties

Compound Name2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N-butylacetamide
PubChem CID66309402
Molecular FormulaC11H16BrN3O2
Molecular Weight302.17 g/mol
Exact Mass301.04
IUPAC Name2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N-butylacetamide
SMILESCCCCNC(=O)Cn1cnc(C)c(Br)c1=O
InChIInChI=1S/C11H16BrN3O2/c1-3-4-5-13-9(16)6-15-7-14-8(2)10(12)11(15)17/h7H,3-6H2,1-2H3,(H,13,16)
InChIKeyOZQRHMDAETWELY-UHFFFAOYSA-N
XLogP1.23
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.17
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

CID 66310018
CID 66310018
CID 66310697
CID 66310697
CID 136010302
CID 136010302
CID 66307872
CID 66307872
CID 66307930
CID 66307930
CID 66307947
CID 66307947
CID 66307948
CID 66307948
CID 66308078
CID 66308078
CID 66308111
CID 66308111
CID 66308120
CID 66308120
CID 66308121
CID 66308121
CID 66308122
CID 66308122

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N-butylacetamide?
The IUPAC name of 2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N-butylacetamide (CID 66309402) is 2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N-butylacetamide.
What is the SMILES notation for 2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N-butylacetamide?
The canonical SMILES for 2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N-butylacetamide is CCCCNC(=O)Cn1cnc(C)c(Br)c1=O.
What is the InChIKey of 2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N-butylacetamide?
The InChIKey is OZQRHMDAETWELY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN3O2/c1-3-4-5-13-9(16)6-15-7-14-8(2)10(12)11(15)17/h7H,3-6H2,1-2H3,(H,13,16).
What are the key properties of 2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N-butylacetamide?
2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N-butylacetamide has a molecular weight of 302.17 g/mol, XLogP of 1.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N-butylacetamide is sourced from PubChem (CID 66309402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).