5-bromo-4-chloro-6-ethyl-2-(2-methylpyrimidin-4-yl)pyrimidine

C11H10BrClN4 — CID 115527526

IUPAC5-bromo-4-chloro-6-ethyl-2-(2-methylpyrimidin-4-yl)pyrimidine
SMILESCCc1nc(-c2ccnc(C)n2)nc(Cl)c1Br
InChIInChI=1S/C11H10BrClN4/c1-3-7-9(12)10(13)17-11(16-7)8-4-5-14-6(2)15-8/h4-5H,3H2,1-2H3
InChIKeyXPWFJZPBNPLTCT-UHFFFAOYSA-N
MW313.59 g/mol
LogP3.22
Rot. Bonds2

About 5-bromo-4-chloro-6-ethyl-2-(2-methylpyrimidin-4-yl)pyrimidine

5-bromo-4-chloro-6-ethyl-2-(2-methylpyrimidin-4-yl)pyrimidine (PubChem CID 115527526) has the molecular formula C11H10BrClN4 and a molecular weight of 313.59 g/mol. Its IUPAC name is 5-bromo-4-chloro-6-ethyl-2-(2-methylpyrimidin-4-yl)pyrimidine.

Molecular Properties

Compound Name5-bromo-4-chloro-6-ethyl-2-(2-methylpyrimidin-4-yl)pyrimidine
PubChem CID115527526
Molecular FormulaC11H10BrClN4
Molecular Weight313.59 g/mol
Exact Mass311.98
IUPAC Name5-bromo-4-chloro-6-ethyl-2-(2-methylpyrimidin-4-yl)pyrimidine
SMILESCCc1nc(-c2ccnc(C)n2)nc(Cl)c1Br
InChIInChI=1S/C11H10BrClN4/c1-3-7-9(12)10(13)17-11(16-7)8-4-5-14-6(2)15-8/h4-5H,3H2,1-2H3
InChIKeyXPWFJZPBNPLTCT-UHFFFAOYSA-N
XLogP3.22
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.59
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-4-chloro-6-(2-methylpropyl)-2-(2-methylpyrimidin-4-yl)pyrimidine
CID 115527549
5-bromo-2-(2-methylpyrimidin-4-yl)-6-propylpyrimidin-4-amine
CID 115528480
5-bromo-4-chloro-2-(2,5-dimethylphenyl)-6-ethylpyrimidine
CID 66313424
5-bromo-4-chloro-2-(2,4-dimethylphenyl)-6-ethylpyrimidine
CID 66313232
5-bromo-4-chloro-2-(2-ethoxyphenyl)-6-ethylpyrimidine
CID 66311864
5-bromo-4-chloro-6-ethyl-2-(3-methylimidazol-4-yl)pyrimidine
CID 66312839
4-chloro-6-methyl-2-(2-methylpyrimidin-4-yl)thieno[2,3-d]pyrimidine
CID 115528625
5-bromo-4-chloro-6-ethyl-2-(4-propan-2-yloxyphenyl)pyrimidine
CID 66313620
5-bromo-4-chloro-6-ethyl-2-[2-(methoxymethyl)phenyl]pyrimidine
CID 66314007
5-bromo-4-chloro-2-(6-methoxy-2-pyridinyl)-6-propylpyrimidine
CID 103347902
5-bromo-2-(2-methylpyrimidin-4-yl)-6-phenylpyrimidin-4-amine
CID 115528465
5-bromo-6-cyclopropyl-2-(2-methylpyrimidin-4-yl)pyrimidin-4-amine
CID 115528547

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-chloro-6-ethyl-2-(2-methylpyrimidin-4-yl)pyrimidine?
The IUPAC name of 5-bromo-4-chloro-6-ethyl-2-(2-methylpyrimidin-4-yl)pyrimidine (CID 115527526) is 5-bromo-4-chloro-6-ethyl-2-(2-methylpyrimidin-4-yl)pyrimidine.
What is the SMILES notation for 5-bromo-4-chloro-6-ethyl-2-(2-methylpyrimidin-4-yl)pyrimidine?
The canonical SMILES for 5-bromo-4-chloro-6-ethyl-2-(2-methylpyrimidin-4-yl)pyrimidine is CCc1nc(-c2ccnc(C)n2)nc(Cl)c1Br.
What is the InChIKey of 5-bromo-4-chloro-6-ethyl-2-(2-methylpyrimidin-4-yl)pyrimidine?
The InChIKey is XPWFJZPBNPLTCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrClN4/c1-3-7-9(12)10(13)17-11(16-7)8-4-5-14-6(2)15-8/h4-5H,3H2,1-2H3.
What are the key properties of 5-bromo-4-chloro-6-ethyl-2-(2-methylpyrimidin-4-yl)pyrimidine?
5-bromo-4-chloro-6-ethyl-2-(2-methylpyrimidin-4-yl)pyrimidine has a molecular weight of 313.59 g/mol, XLogP of 3.22, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-chloro-6-ethyl-2-(2-methylpyrimidin-4-yl)pyrimidine is sourced from PubChem (CID 115527526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).