N-(3-bromo-4-methoxybutyl)pyrimidine-5-carboxamide

C10H14BrN3O2 — CID 106244827

IUPACN-(3-bromo-4-methoxybutyl)pyrimidine-5-carboxamide
SMILESCOCC(Br)CCNC(=O)c1cncnc1
InChIInChI=1S/C10H14BrN3O2/c1-16-6-9(11)2-3-14-10(15)8-4-12-7-13-5-8/h4-5,7,9H,2-3,6H2,1H3,(H,14,15)
InChIKeyWDWJOHKCEBGWJW-UHFFFAOYSA-N
MW288.14 g/mol
LogP1.01
Rot. Bonds6

About N-(3-bromo-4-methoxybutyl)pyrimidine-5-carboxamide

N-(3-bromo-4-methoxybutyl)pyrimidine-5-carboxamide (PubChem CID 106244827) has the molecular formula C10H14BrN3O2 and a molecular weight of 288.14 g/mol. Its IUPAC name is N-(3-bromo-4-methoxybutyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(3-bromo-4-methoxybutyl)pyrimidine-5-carboxamide
PubChem CID106244827
Molecular FormulaC10H14BrN3O2
Molecular Weight288.14 g/mol
Exact Mass287.03
IUPAC NameN-(3-bromo-4-methoxybutyl)pyrimidine-5-carboxamide
SMILESCOCC(Br)CCNC(=O)c1cncnc1
InChIInChI=1S/C10H14BrN3O2/c1-16-6-9(11)2-3-14-10(15)8-4-12-7-13-5-8/h4-5,7,9H,2-3,6H2,1H3,(H,14,15)
InChIKeyWDWJOHKCEBGWJW-UHFFFAOYSA-N
XLogP1.01
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.14
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-bromo-4-methoxybutyl)pyridine-3-carboxamide
CID 106244946
N-(3-bromo-4-methoxybutyl)-1H-pyrazole-4-carboxamide
CID 106244861
N-(3-bromo-4-methoxybutyl)-3,4,5-trifluorobenzamide
CID 106244860
5-bromo-N-(3-bromo-4-methoxybutyl)thiophene-3-carboxamide
CID 106244834
N-(3-bromo-4-methoxybutyl)-2-methylpyridine-4-carboxamide
CID 106244762
N-(3-bromo-4-methoxybutyl)-3-hydroxypyridine-4-carboxamide
CID 106244891
N-(3-bromo-4-methoxybutyl)-3-methoxy-4-methylbenzamide
CID 106245135
N-(3-bromo-4-methoxybutyl)-4-methyl-1,3-oxazole-5-carboxamide
CID 106245346
N-(3-bromo-4-methoxybutyl)-5-chloropyridine-2-carboxamide
CID 106245143
N-(3-bromo-4-methoxybutyl)-3-methoxybenzamide
CID 114163322
N-(3-chloropentyl)pyrimidine-5-carboxamide
CID 102922848
N-(3-bromo-4-methoxybutyl)-2,6-difluorobenzamide
CID 106244803

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-methoxybutyl)pyrimidine-5-carboxamide?
The IUPAC name of N-(3-bromo-4-methoxybutyl)pyrimidine-5-carboxamide (CID 106244827) is N-(3-bromo-4-methoxybutyl)pyrimidine-5-carboxamide.
What is the SMILES notation for N-(3-bromo-4-methoxybutyl)pyrimidine-5-carboxamide?
The canonical SMILES for N-(3-bromo-4-methoxybutyl)pyrimidine-5-carboxamide is COCC(Br)CCNC(=O)c1cncnc1.
What is the InChIKey of N-(3-bromo-4-methoxybutyl)pyrimidine-5-carboxamide?
The InChIKey is WDWJOHKCEBGWJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrN3O2/c1-16-6-9(11)2-3-14-10(15)8-4-12-7-13-5-8/h4-5,7,9H,2-3,6H2,1H3,(H,14,15).
What are the key properties of N-(3-bromo-4-methoxybutyl)pyrimidine-5-carboxamide?
N-(3-bromo-4-methoxybutyl)pyrimidine-5-carboxamide has a molecular weight of 288.14 g/mol, XLogP of 1.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-4-methoxybutyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 106244827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).