5-bromo-4-chloro-2-(6-methoxy-2-pyridinyl)-6-propylpyrimidine

C13H13BrClN3O — CID 103347902

IUPAC5-bromo-4-chloro-2-(6-methoxy-2-pyridinyl)-6-propylpyrimidine
SMILESCCCc1nc(-c2cccc(OC)n2)nc(Cl)c1Br
InChIInChI=1S/C13H13BrClN3O/c1-3-5-8-11(14)12(15)18-13(17-8)9-6-4-7-10(16-9)19-2/h4,6-7H,3,5H2,1-2H3
InChIKeyFBRQOGLDDUVQOD-UHFFFAOYSA-N
MW342.62 g/mol
LogP3.92
Rot. Bonds4

About 5-bromo-4-chloro-2-(6-methoxy-2-pyridinyl)-6-propylpyrimidine

5-bromo-4-chloro-2-(6-methoxy-2-pyridinyl)-6-propylpyrimidine (PubChem CID 103347902) has the molecular formula C13H13BrClN3O and a molecular weight of 342.62 g/mol. Its IUPAC name is 5-bromo-4-chloro-2-(6-methoxy-2-pyridinyl)-6-propylpyrimidine.

Molecular Properties

Compound Name5-bromo-4-chloro-2-(6-methoxy-2-pyridinyl)-6-propylpyrimidine
PubChem CID103347902
Molecular FormulaC13H13BrClN3O
Molecular Weight342.62 g/mol
Exact Mass340.99
IUPAC Name5-bromo-4-chloro-2-(6-methoxy-2-pyridinyl)-6-propylpyrimidine
SMILESCCCc1nc(-c2cccc(OC)n2)nc(Cl)c1Br
InChIInChI=1S/C13H13BrClN3O/c1-3-5-8-11(14)12(15)18-13(17-8)9-6-4-7-10(16-9)19-2/h4,6-7H,3,5H2,1-2H3
InChIKeyFBRQOGLDDUVQOD-UHFFFAOYSA-N
XLogP3.92
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.62
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-4-chloro-2-(6-methoxy-2-pyridinyl)-6-(2-methylpropyl)pyrimidine
CID 103347915
5-bromo-4-chloro-2-(3-chlorophenyl)-6-propylpyrimidine
CID 66291931
5-bromo-4-chloro-2-(6-methoxy-2-pyridinyl)pyrimidine
CID 103347910
5-bromo-4-chloro-2-[2-(methoxymethyl)phenyl]-6-propylpyrimidine
CID 66312435
5-bromo-4-chloro-6-propyl-2-thiophen-2-ylpyrimidine
CID 66292949
4-chloro-5-iodo-2-(6-methoxy-2-pyridinyl)-6-methylpyrimidine
CID 103347901
5-bromo-2-(6-methoxypyridazin-3-yl)-6-propylpyrimidin-4-amine
CID 103375014
5-bromo-4-chloro-2-(4-propan-2-yloxyphenyl)-6-propylpyrimidine
CID 66312237
4-(5-bromo-4-chloro-6-propylpyrimidin-2-yl)quinoline
CID 66313409
5-bromo-4-chloro-2-(4-chloro-3-fluorophenyl)-6-propylpyrimidine
CID 66311269
6-ethyl-5-iodo-2-(6-methoxy-2-pyridinyl)-N-propylpyrimidin-4-amine
CID 103348426
2-(2-chlorophenyl)-6-methoxypyridine
CID 121009188

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-chloro-2-(6-methoxy-2-pyridinyl)-6-propylpyrimidine?
The IUPAC name of 5-bromo-4-chloro-2-(6-methoxy-2-pyridinyl)-6-propylpyrimidine (CID 103347902) is 5-bromo-4-chloro-2-(6-methoxy-2-pyridinyl)-6-propylpyrimidine.
What is the SMILES notation for 5-bromo-4-chloro-2-(6-methoxy-2-pyridinyl)-6-propylpyrimidine?
The canonical SMILES for 5-bromo-4-chloro-2-(6-methoxy-2-pyridinyl)-6-propylpyrimidine is CCCc1nc(-c2cccc(OC)n2)nc(Cl)c1Br.
What is the InChIKey of 5-bromo-4-chloro-2-(6-methoxy-2-pyridinyl)-6-propylpyrimidine?
The InChIKey is FBRQOGLDDUVQOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrClN3O/c1-3-5-8-11(14)12(15)18-13(17-8)9-6-4-7-10(16-9)19-2/h4,6-7H,3,5H2,1-2H3.
What are the key properties of 5-bromo-4-chloro-2-(6-methoxy-2-pyridinyl)-6-propylpyrimidine?
5-bromo-4-chloro-2-(6-methoxy-2-pyridinyl)-6-propylpyrimidine has a molecular weight of 342.62 g/mol, XLogP of 3.92, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-chloro-2-(6-methoxy-2-pyridinyl)-6-propylpyrimidine is sourced from PubChem (CID 103347902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).