4-(4-bromo-2-methyl-6-nitrophenoxy)-6-chloro-2,5-dimethylpyrimidine

C13H11BrClN3O3 — CID 79842513

IUPAC4-(4-bromo-2-methyl-6-nitrophenoxy)-6-chloro-2,5-dimethylpyrimidine
SMILESCc1nc(Cl)c(C)c(Oc2c(C)cc(Br)cc2[N+](=O)[O-])n1
InChIInChI=1S/C13H11BrClN3O3/c1-6-4-9(14)5-10(18(19)20)11(6)21-13-7(2)12(15)16-8(3)17-13/h4-5H,1-3H3
InChIKeyWYMQQSVTZJLMQM-UHFFFAOYSA-N
MW372.61 g/mol
LogP4.52
Rot. Bonds3

About 4-(4-bromo-2-methyl-6-nitrophenoxy)-6-chloro-2,5-dimethylpyrimidine

4-(4-bromo-2-methyl-6-nitrophenoxy)-6-chloro-2,5-dimethylpyrimidine (PubChem CID 79842513) has the molecular formula C13H11BrClN3O3 and a molecular weight of 372.61 g/mol. Its IUPAC name is 4-(4-bromo-2-methyl-6-nitrophenoxy)-6-chloro-2,5-dimethylpyrimidine.

Molecular Properties

Compound Name4-(4-bromo-2-methyl-6-nitrophenoxy)-6-chloro-2,5-dimethylpyrimidine
PubChem CID79842513
Molecular FormulaC13H11BrClN3O3
Molecular Weight372.61 g/mol
Exact Mass370.97
IUPAC Name4-(4-bromo-2-methyl-6-nitrophenoxy)-6-chloro-2,5-dimethylpyrimidine
SMILESCc1nc(Cl)c(C)c(Oc2c(C)cc(Br)cc2[N+](=O)[O-])n1
InChIInChI=1S/C13H11BrClN3O3/c1-6-4-9(14)5-10(18(19)20)11(6)21-13-7(2)12(15)16-8(3)17-13/h4-5H,1-3H3
InChIKeyWYMQQSVTZJLMQM-UHFFFAOYSA-N
XLogP4.52
TPSA78.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.61
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-(4-bromo-2-methyl-6-nitrophenoxy)-5-chloropyrimidin-2-amine
CID 80878479
4-(4-bromo-2-methyl-6-nitrophenoxy)-6-chloropyrimidin-2-amine
CID 80738864
4-(4-bromo-2-methyl-6-nitrophenoxy)-5-chloro-1H-pyrimidin-6-one
CID 114676504
2-(4-bromo-2-methyl-6-nitrophenoxy)-3-chloropyridine-4-carbonitrile
CID 107059109
4-chloro-2,5-dimethyl-6-(2-methyl-3-nitrophenoxy)pyrimidine
CID 63734876
5-bromo-4-(4-bromo-2-methyl-6-nitrophenoxy)-1H-pyrimidin-6-one
CID 114676506
4-(4-bromo-2-methyl-6-nitrophenoxy)-6-methoxy-1,3,5-triazin-2-amine
CID 80870756
5-bromo-2-[4-chloro-2-(chloromethyl)phenoxy]-1-methyl-3-nitrobenzene
CID 114847142
4-bromo-2-(4-bromo-2-methyl-6-nitrophenoxy)benzaldehyde
CID 79842280
3,6-dichloro-5-(2,4-dimethyl-6-nitrophenoxy)-1,2,4-triazine
CID 81037916
3-[(4-bromo-2-methyl-6-nitrophenoxy)methyl]-2,4-dichloropyridine
CID 165114514
(1R)-1-[2-(4-bromo-2-methyl-6-nitrophenoxy)phenyl]ethanamine
CID 79842050

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromo-2-methyl-6-nitrophenoxy)-6-chloro-2,5-dimethylpyrimidine?
The IUPAC name of 4-(4-bromo-2-methyl-6-nitrophenoxy)-6-chloro-2,5-dimethylpyrimidine (CID 79842513) is 4-(4-bromo-2-methyl-6-nitrophenoxy)-6-chloro-2,5-dimethylpyrimidine.
What is the SMILES notation for 4-(4-bromo-2-methyl-6-nitrophenoxy)-6-chloro-2,5-dimethylpyrimidine?
The canonical SMILES for 4-(4-bromo-2-methyl-6-nitrophenoxy)-6-chloro-2,5-dimethylpyrimidine is Cc1nc(Cl)c(C)c(Oc2c(C)cc(Br)cc2[N+](=O)[O-])n1.
What is the InChIKey of 4-(4-bromo-2-methyl-6-nitrophenoxy)-6-chloro-2,5-dimethylpyrimidine?
The InChIKey is WYMQQSVTZJLMQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrClN3O3/c1-6-4-9(14)5-10(18(19)20)11(6)21-13-7(2)12(15)16-8(3)17-13/h4-5H,1-3H3.
What are the key properties of 4-(4-bromo-2-methyl-6-nitrophenoxy)-6-chloro-2,5-dimethylpyrimidine?
4-(4-bromo-2-methyl-6-nitrophenoxy)-6-chloro-2,5-dimethylpyrimidine has a molecular weight of 372.61 g/mol, XLogP of 4.52, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromo-2-methyl-6-nitrophenoxy)-6-chloro-2,5-dimethylpyrimidine is sourced from PubChem (CID 79842513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).