4-(bromomethyl)-2-chloro-5-fluoro-6-methoxypyrimidine

C6H5BrClFN2O — CID 58252368

IUPAC4-(bromomethyl)-2-chloro-5-fluoro-6-methoxypyrimidine
SMILESCOc1nc(Cl)nc(CBr)c1F
InChIInChI=1S/C6H5BrClFN2O/c1-12-5-4(9)3(2-7)10-6(8)11-5/h2H2,1H3
InChIKeyCCFAKTPLQOIFBO-UHFFFAOYSA-N
MW255.47 g/mol
LogP2.17
Rot. Bonds2

About 4-(bromomethyl)-2-chloro-5-fluoro-6-methoxypyrimidine

4-(bromomethyl)-2-chloro-5-fluoro-6-methoxypyrimidine (PubChem CID 58252368) has the molecular formula C6H5BrClFN2O and a molecular weight of 255.47 g/mol. Its IUPAC name is 4-(bromomethyl)-2-chloro-5-fluoro-6-methoxypyrimidine.

Molecular Properties

Compound Name4-(bromomethyl)-2-chloro-5-fluoro-6-methoxypyrimidine
PubChem CID58252368
Molecular FormulaC6H5BrClFN2O
Molecular Weight255.47 g/mol
Exact Mass253.93
IUPAC Name4-(bromomethyl)-2-chloro-5-fluoro-6-methoxypyrimidine
SMILESCOc1nc(Cl)nc(CBr)c1F
InChIInChI=1S/C6H5BrClFN2O/c1-12-5-4(9)3(2-7)10-6(8)11-5/h2H2,1H3
InChIKeyCCFAKTPLQOIFBO-UHFFFAOYSA-N
XLogP2.17
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.47
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-Bromomethyl-2,4-dimethoxy-5-bromopyrimidine
CID 16732575
5-Bromo-6-dibromomethyl-2,4-dimethoxypyrimidine
CID 16732576
2-Chloro-4-methoxy-6-methylpyrimidine
CID 12490571
5-Bromo-4-methoxy-6-methylpyrimidine
CID 56592978
5-Bromo-2,4-dimethoxy-6-methylpyrimidine
CID 12357924
2-Chloro-4-methoxy-6-(trifluoromethyl)pyrimidine
CID 19100561
2-Chloro-5-fluoro-4-methoxy-6-methylpyrimidine
CID 58252332
5-Iodo-2,4-dimethoxy-6-methylpyrimidine
CID 13798479
5-Bromo-4-methyl-6-(2,2,2-trifluoroethoxy)pyrimidin-2-amine
CID 3109470
5-Iodo-4-methoxy-2-methyl-6-(trifluoromethyl)pyrimidine
CID 12151205
Pyrimidine, 5-bromo-2,4-dimethoxy-6-(trifluoromethyl)-
CID 12151208
5-Fluoro-2,4-dimethoxy-6-(trifluoromethyl)pyrimidine
CID 12151209

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-2-chloro-5-fluoro-6-methoxypyrimidine?
The IUPAC name of 4-(bromomethyl)-2-chloro-5-fluoro-6-methoxypyrimidine (CID 58252368) is 4-(bromomethyl)-2-chloro-5-fluoro-6-methoxypyrimidine.
What is the SMILES notation for 4-(bromomethyl)-2-chloro-5-fluoro-6-methoxypyrimidine?
The canonical SMILES for 4-(bromomethyl)-2-chloro-5-fluoro-6-methoxypyrimidine is COc1nc(Cl)nc(CBr)c1F.
What is the InChIKey of 4-(bromomethyl)-2-chloro-5-fluoro-6-methoxypyrimidine?
The InChIKey is CCFAKTPLQOIFBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5BrClFN2O/c1-12-5-4(9)3(2-7)10-6(8)11-5/h2H2,1H3.
What are the key properties of 4-(bromomethyl)-2-chloro-5-fluoro-6-methoxypyrimidine?
4-(bromomethyl)-2-chloro-5-fluoro-6-methoxypyrimidine has a molecular weight of 255.47 g/mol, XLogP of 2.17, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-2-chloro-5-fluoro-6-methoxypyrimidine is sourced from PubChem (CID 58252368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).