4-(4-bromo-3-methylphenoxy)-2-chloro-5-methylpyrimidine

C12H10BrClN2O — CID 83132767

IUPAC4-(4-bromo-3-methylphenoxy)-2-chloro-5-methylpyrimidine
SMILESCc1cc(Oc2nc(Cl)ncc2C)ccc1Br
InChIInChI=1S/C12H10BrClN2O/c1-7-5-9(3-4-10(7)13)17-11-8(2)6-15-12(14)16-11/h3-6H,1-2H3
InChIKeyGZXGXEKMMIFIPV-UHFFFAOYSA-N
MW313.58 g/mol
LogP4.30
Rot. Bonds2

About 4-(4-bromo-3-methylphenoxy)-2-chloro-5-methylpyrimidine

4-(4-bromo-3-methylphenoxy)-2-chloro-5-methylpyrimidine (PubChem CID 83132767) has the molecular formula C12H10BrClN2O and a molecular weight of 313.58 g/mol. Its IUPAC name is 4-(4-bromo-3-methylphenoxy)-2-chloro-5-methylpyrimidine.

Molecular Properties

Compound Name4-(4-bromo-3-methylphenoxy)-2-chloro-5-methylpyrimidine
PubChem CID83132767
Molecular FormulaC12H10BrClN2O
Molecular Weight313.58 g/mol
Exact Mass311.97
IUPAC Name4-(4-bromo-3-methylphenoxy)-2-chloro-5-methylpyrimidine
SMILESCc1cc(Oc2nc(Cl)ncc2C)ccc1Br
InChIInChI=1S/C12H10BrClN2O/c1-7-5-9(3-4-10(7)13)17-11-8(2)6-15-12(14)16-11/h3-6H,1-2H3
InChIKeyGZXGXEKMMIFIPV-UHFFFAOYSA-N
XLogP4.30
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.58
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-4-(4-bromo-3-methylphenoxy)pyrimidin-2-amine
CID 83134763
5-bromo-4-(6-bromonaphthalen-2-yl)oxy-2-chloropyrimidine
CID 79076852
4-(4-bromo-3-methylphenoxy)-2-chloro-6-ethylthieno[2,3-d]pyrimidine
CID 103320225
2-(4-bromo-3-methylphenoxy)-5-chloropyridine
CID 83132873
2-(4-bromo-3-methylphenoxy)-5-methylpyridine
CID 83141020
2-(4-bromo-3-methylphenoxy)-3-methylpyridine
CID 83139867
2-chloro-5-methyl-4-(3-nitrophenoxy)pyrimidine
CID 79076239
4-(4-butylphenoxy)-2-chloro-5-methylpyrimidine
CID 115492565
5-bromo-2-chloro-4-(5-chloro-2-methylphenoxy)pyrimidine
CID 79076865
2-chloro-4-methoxy-5-methylpyrimidine
CID 11051933
1-(4-bromo-3-methylphenoxy)phthalazine
CID 83141017
3-bromo-2-(4-chloro-3-methylphenoxy)-5-methylpyridine
CID 105368164

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromo-3-methylphenoxy)-2-chloro-5-methylpyrimidine?
The IUPAC name of 4-(4-bromo-3-methylphenoxy)-2-chloro-5-methylpyrimidine (CID 83132767) is 4-(4-bromo-3-methylphenoxy)-2-chloro-5-methylpyrimidine.
What is the SMILES notation for 4-(4-bromo-3-methylphenoxy)-2-chloro-5-methylpyrimidine?
The canonical SMILES for 4-(4-bromo-3-methylphenoxy)-2-chloro-5-methylpyrimidine is Cc1cc(Oc2nc(Cl)ncc2C)ccc1Br.
What is the InChIKey of 4-(4-bromo-3-methylphenoxy)-2-chloro-5-methylpyrimidine?
The InChIKey is GZXGXEKMMIFIPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrClN2O/c1-7-5-9(3-4-10(7)13)17-11-8(2)6-15-12(14)16-11/h3-6H,1-2H3.
What are the key properties of 4-(4-bromo-3-methylphenoxy)-2-chloro-5-methylpyrimidine?
4-(4-bromo-3-methylphenoxy)-2-chloro-5-methylpyrimidine has a molecular weight of 313.58 g/mol, XLogP of 4.30, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromo-3-methylphenoxy)-2-chloro-5-methylpyrimidine is sourced from PubChem (CID 83132767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).