4-(2-bromobutyl)pyrimidine

C8H11BrN2 — CID 63203531

IUPAC4-(2-bromobutyl)pyrimidine
SMILESCCC(Br)Cc1ccncn1
InChIInChI=1S/C8H11BrN2/c1-2-7(9)5-8-3-4-10-6-11-8/h3-4,6-7H,2,5H2,1H3
InChIKeyXMGLCRZFHIHDSD-UHFFFAOYSA-N
MW215.09 g/mol
LogP2.19
Rot. Bonds3

About 4-(2-bromobutyl)pyrimidine

4-(2-bromobutyl)pyrimidine (PubChem CID 63203531) has the molecular formula C8H11BrN2 and a molecular weight of 215.09 g/mol. Its IUPAC name is 4-(2-bromobutyl)pyrimidine.

Molecular Properties

Compound Name4-(2-bromobutyl)pyrimidine
PubChem CID63203531
Molecular FormulaC8H11BrN2
Molecular Weight215.09 g/mol
Exact Mass214.01
IUPAC Name4-(2-bromobutyl)pyrimidine
SMILESCCC(Br)Cc1ccncn1
InChIInChI=1S/C8H11BrN2/c1-2-7(9)5-8-3-4-10-6-11-8/h3-4,6-7H,2,5H2,1H3
InChIKeyXMGLCRZFHIHDSD-UHFFFAOYSA-N
XLogP2.19
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.09
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(2-bromobutyl)-2-methylpyrimidine
CID 63203331
4-propylpyrimidine
CID 18996562
N-ethyl-3,3-dimethyl-1-pyrimidin-4-ylbutan-2-amine
CID 63198618
ethane;pyrimidin-4-ylmethanamine
CID 90939628
(2S)-2-amino-3-pyrimidin-4-ylpropan-1-ol
CID 97304087
1-(4-methylphenyl)-N-(pyrimidin-4-ylmethyl)propan-1-amine
CID 62749243
1-methoxy-N-propyl-3-pyrimidin-4-ylpropan-2-amine
CID 63197559
(2R)-2-(pyrimidin-4-ylmethylamino)butan-1-ol
CID 104868735
4-(2-bromobutyl)-5-iodopyrimidine
CID 66319811
2,4-bis(4-fluorophenyl)-1,5-di(pyrimidin-4-yl)pentan-3-one
CID 151411607
1-(4-methoxyphenyl)-N-(pyrimidin-4-ylmethyl)propan-1-amine
CID 62748534
(1S)-1-(4-methoxyphenyl)-2-pyrimidin-4-ylethanol
CID 6989288

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromobutyl)pyrimidine?
The IUPAC name of 4-(2-bromobutyl)pyrimidine (CID 63203531) is 4-(2-bromobutyl)pyrimidine.
What is the SMILES notation for 4-(2-bromobutyl)pyrimidine?
The canonical SMILES for 4-(2-bromobutyl)pyrimidine is CCC(Br)Cc1ccncn1.
What is the InChIKey of 4-(2-bromobutyl)pyrimidine?
The InChIKey is XMGLCRZFHIHDSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrN2/c1-2-7(9)5-8-3-4-10-6-11-8/h3-4,6-7H,2,5H2,1H3.
What are the key properties of 4-(2-bromobutyl)pyrimidine?
4-(2-bromobutyl)pyrimidine has a molecular weight of 215.09 g/mol, XLogP of 2.19, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromobutyl)pyrimidine is sourced from PubChem (CID 63203531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).