2-bromo-4-(2,4-dimethoxy-6-methylphenyl)-6-methylpyrimidine

C14H15BrN2O2 — CID 116897316

IUPAC2-bromo-4-(2,4-dimethoxy-6-methylphenyl)-6-methylpyrimidine
SMILESCOc1cc(C)c(-c2cc(C)nc(Br)n2)c(OC)c1
InChIInChI=1S/C14H15BrN2O2/c1-8-5-10(18-3)7-12(19-4)13(8)11-6-9(2)16-14(15)17-11/h5-7H,1-4H3
InChIKeyMJKYPJFHVMPJDJ-UHFFFAOYSA-N
MW323.19 g/mol
LogP3.54
Rot. Bonds3

About 2-bromo-4-(2,4-dimethoxy-6-methylphenyl)-6-methylpyrimidine

2-bromo-4-(2,4-dimethoxy-6-methylphenyl)-6-methylpyrimidine (PubChem CID 116897316) has the molecular formula C14H15BrN2O2 and a molecular weight of 323.19 g/mol. Its IUPAC name is 2-bromo-4-(2,4-dimethoxy-6-methylphenyl)-6-methylpyrimidine.

Molecular Properties

Compound Name2-bromo-4-(2,4-dimethoxy-6-methylphenyl)-6-methylpyrimidine
PubChem CID116897316
Molecular FormulaC14H15BrN2O2
Molecular Weight323.19 g/mol
Exact Mass322.03
IUPAC Name2-bromo-4-(2,4-dimethoxy-6-methylphenyl)-6-methylpyrimidine
SMILESCOc1cc(C)c(-c2cc(C)nc(Br)n2)c(OC)c1
InChIInChI=1S/C14H15BrN2O2/c1-8-5-10(18-3)7-12(19-4)13(8)11-6-9(2)16-14(15)17-11/h5-7H,1-4H3
InChIKeyMJKYPJFHVMPJDJ-UHFFFAOYSA-N
XLogP3.54
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.19
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2,4-dimethoxy-6-methylphenyl)-2-methoxypyrimidine
CID 116903822
2-(2,4-dimethoxy-6-methylphenyl)-4-methyl-1,3-thiazole
CID 116891940
4-(2,4-dimethoxy-6-methylphenyl)pyrimidin-2-amine
CID 116900504
[4-(2,4-dimethoxy-6-methylphenyl)-1,3-thiazol-2-yl]methanol
CID 116867467
5-(2,4-dimethoxy-6-methylphenyl)-3-methyl-1,2-oxazole
CID 116868995
4-(2,4-dimethoxy-6-methylphenyl)-1,3-dihydroimidazol-2-one
CID 116879754
4-chloro-6-methyl-2-(2,4,6-trimethoxyphenyl)pyrimidine
CID 43557849
2,6-bis(4-methoxy-2,6-dimethylphenyl)pyridine
CID 71374375
3,5-dimethyl-2,6-bis(2,4,6-trimethoxyphenyl)aniline
CID 102009274
2-bromo-4-(2,5-dimethylphenyl)-6-methylpyrimidine
CID 116897213
2-bromo-4-(2-methoxy-4,6-dimethylphenyl)-1,3-thiazole
CID 116968062
4-(2,4-dimethoxy-6-methylphenyl)-5-ethyl-1,3-oxazol-2-amine
CID 116831957

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-(2,4-dimethoxy-6-methylphenyl)-6-methylpyrimidine?
The IUPAC name of 2-bromo-4-(2,4-dimethoxy-6-methylphenyl)-6-methylpyrimidine (CID 116897316) is 2-bromo-4-(2,4-dimethoxy-6-methylphenyl)-6-methylpyrimidine.
What is the SMILES notation for 2-bromo-4-(2,4-dimethoxy-6-methylphenyl)-6-methylpyrimidine?
The canonical SMILES for 2-bromo-4-(2,4-dimethoxy-6-methylphenyl)-6-methylpyrimidine is COc1cc(C)c(-c2cc(C)nc(Br)n2)c(OC)c1.
What is the InChIKey of 2-bromo-4-(2,4-dimethoxy-6-methylphenyl)-6-methylpyrimidine?
The InChIKey is MJKYPJFHVMPJDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O2/c1-8-5-10(18-3)7-12(19-4)13(8)11-6-9(2)16-14(15)17-11/h5-7H,1-4H3.
What are the key properties of 2-bromo-4-(2,4-dimethoxy-6-methylphenyl)-6-methylpyrimidine?
2-bromo-4-(2,4-dimethoxy-6-methylphenyl)-6-methylpyrimidine has a molecular weight of 323.19 g/mol, XLogP of 3.54, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-(2,4-dimethoxy-6-methylphenyl)-6-methylpyrimidine is sourced from PubChem (CID 116897316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).