N-(1-bromo-4-methylpentan-3-yl)pyrimidine-5-carboxamide

C11H16BrN3O — CID 106355183

IUPACN-(1-bromo-4-methylpentan-3-yl)pyrimidine-5-carboxamide
SMILESCC(C)C(CCBr)NC(=O)c1cncnc1
InChIInChI=1S/C11H16BrN3O/c1-8(2)10(3-4-12)15-11(16)9-5-13-7-14-6-9/h5-8,10H,3-4H2,1-2H3,(H,15,16)
InChIKeyPYTARZCBZQXZKU-UHFFFAOYSA-N
MW286.17 g/mol
LogP2.02
Rot. Bonds5

About N-(1-bromo-4-methylpentan-3-yl)pyrimidine-5-carboxamide

N-(1-bromo-4-methylpentan-3-yl)pyrimidine-5-carboxamide (PubChem CID 106355183) has the molecular formula C11H16BrN3O and a molecular weight of 286.17 g/mol. Its IUPAC name is N-(1-bromo-4-methylpentan-3-yl)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(1-bromo-4-methylpentan-3-yl)pyrimidine-5-carboxamide
PubChem CID106355183
Molecular FormulaC11H16BrN3O
Molecular Weight286.17 g/mol
Exact Mass285.05
IUPAC NameN-(1-bromo-4-methylpentan-3-yl)pyrimidine-5-carboxamide
SMILESCC(C)C(CCBr)NC(=O)c1cncnc1
InChIInChI=1S/C11H16BrN3O/c1-8(2)10(3-4-12)15-11(16)9-5-13-7-14-6-9/h5-8,10H,3-4H2,1-2H3,(H,15,16)
InChIKeyPYTARZCBZQXZKU-UHFFFAOYSA-N
XLogP2.02
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.17
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(1-hydroxy-4-methylpentan-3-yl)pyrimidine-5-carboxamide
CID 104629427
N-(1-hydroxy-3-methylbutan-2-yl)pyrimidine-5-carboxamide
CID 102922170
N-(1-bromo-4,4-dimethylpentan-3-yl)pyrimidine-5-carboxamide
CID 106356037
N-(1-bromo-4-methylpentan-3-yl)-3,4-dimethylbenzamide
CID 106355347
N-(1-bromo-4-methylpentan-3-yl)-3,5-difluorobenzamide
CID 106355065
N-(1-bromo-4-methylpentan-3-yl)-6-oxo-1H-pyridine-3-carboxamide
CID 106355182
3-bromo-N-(1-bromo-4-methylpentan-3-yl)-5-fluorobenzamide
CID 114177786
N-[(2R)-1-aminopropan-2-yl]pyrimidine-5-carboxamide
CID 102922368
N-(1-chloropropan-2-yl)pyrimidine-5-carboxamide
CID 102922755
(2R)-2-(pyrimidine-5-carbonylamino)propanoic acid
CID 102921462
N-(1-bromo-4-methylpentan-3-yl)-3,6-dimethylpyridazine-4-carboxamide
CID 106355201
N-(1-bromo-4-methylpentan-3-yl)thiadiazole-4-carboxamide
CID 106355309

Frequently Asked Questions

What is the IUPAC name of N-(1-bromo-4-methylpentan-3-yl)pyrimidine-5-carboxamide?
The IUPAC name of N-(1-bromo-4-methylpentan-3-yl)pyrimidine-5-carboxamide (CID 106355183) is N-(1-bromo-4-methylpentan-3-yl)pyrimidine-5-carboxamide.
What is the SMILES notation for N-(1-bromo-4-methylpentan-3-yl)pyrimidine-5-carboxamide?
The canonical SMILES for N-(1-bromo-4-methylpentan-3-yl)pyrimidine-5-carboxamide is CC(C)C(CCBr)NC(=O)c1cncnc1.
What is the InChIKey of N-(1-bromo-4-methylpentan-3-yl)pyrimidine-5-carboxamide?
The InChIKey is PYTARZCBZQXZKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN3O/c1-8(2)10(3-4-12)15-11(16)9-5-13-7-14-6-9/h5-8,10H,3-4H2,1-2H3,(H,15,16).
What are the key properties of N-(1-bromo-4-methylpentan-3-yl)pyrimidine-5-carboxamide?
N-(1-bromo-4-methylpentan-3-yl)pyrimidine-5-carboxamide has a molecular weight of 286.17 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-bromo-4-methylpentan-3-yl)pyrimidine-5-carboxamide is sourced from PubChem (CID 106355183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).