5-bromo-4-chloro-2-(6-methoxy-2-pyridinyl)-6-(2-methylpropyl)pyrimidine

C14H15BrClN3O — CID 103347915

IUPAC5-bromo-4-chloro-2-(6-methoxy-2-pyridinyl)-6-(2-methylpropyl)pyrimidine
SMILESCOc1cccc(-c2nc(Cl)c(Br)c(CC(C)C)n2)n1
InChIInChI=1S/C14H15BrClN3O/c1-8(2)7-10-12(15)13(16)19-14(18-10)9-5-4-6-11(17-9)20-3/h4-6,8H,7H2,1-3H3
InChIKeyCSNJOHDDHVWXEO-UHFFFAOYSA-N
MW356.65 g/mol
LogP4.16
Rot. Bonds4

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

5-bromo-4-chloro-2-(6-methoxy-2-pyridinyl)-6-(2-methylpropyl)pyrimidine (PubChem CID 103347915) has the molecular formula C14H15BrClN3O and a molecular weight of 356.65 g/mol. Its IUPAC name is 5-bromo-4-chloro-2-(6-methoxy-2-pyridinyl)-6-(2-methylpropyl)pyrimidine.

Molecular Properties

Compound Name5-bromo-4-chloro-2-(6-methoxy-2-pyridinyl)-6-(2-methylpropyl)pyrimidine
PubChem CID103347915
Molecular FormulaC14H15BrClN3O
Molecular Weight356.65 g/mol
Exact Mass355.01
IUPAC Name5-bromo-4-chloro-2-(6-methoxy-2-pyridinyl)-6-(2-methylpropyl)pyrimidine
SMILESCOc1cccc(-c2nc(Cl)c(Br)c(CC(C)C)n2)n1
InChIInChI=1S/C14H15BrClN3O/c1-8(2)7-10-12(15)13(16)19-14(18-10)9-5-4-6-11(17-9)20-3/h4-6,8H,7H2,1-3H3
InChIKeyCSNJOHDDHVWXEO-UHFFFAOYSA-N
XLogP4.16
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.65
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-4-chloro-2-(6-methoxy-2-pyridinyl)-6-propylpyrimidine
CID 103347902
5-bromo-4-chloro-6-(2-methylpropyl)-2-(2-methylpyrimidin-4-yl)pyrimidine
CID 115527549
5-bromo-4-chloro-2-(6-methoxy-2-pyridinyl)pyrimidine
CID 103347910
4-chloro-5-iodo-2-(6-methoxy-2-pyridinyl)-6-methylpyrimidine
CID 103347901
5-bromo-4-chloro-6-(2-methylpropyl)-2-(2-methylpyrazol-3-yl)pyrimidine
CID 114554010
5-bromo-2-(3-bromo-4-fluorophenyl)-4-chloro-6-(2-methylpropyl)pyrimidine
CID 82809633
2-[5-bromo-4-chloro-6-(2-methylpropyl)pyrimidin-2-yl]-5-chloro-1,3-thiazole
CID 107124723
2-(2-chlorophenyl)-6-methoxypyridine
CID 121009188
2-(3-bromothiophen-2-yl)-4-chloro-5-iodo-6-(2-methylpropyl)pyrimidine
CID 113298184
5-bromo-4-chloro-6-(methoxymethyl)-2-(4-propan-2-ylphenyl)pyrimidine
CID 66292223
5-iodo-6-(methoxymethyl)-2-(6-methoxy-2-pyridinyl)-N-methylpyrimidin-4-amine
CID 103348437
5-bromo-4-chloro-6-(methoxymethyl)-2-naphthalen-1-ylpyrimidine
CID 66294471

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-chloro-2-(6-methoxy-2-pyridinyl)-6-(2-methylpropyl)pyrimidine?
The IUPAC name of 5-bromo-4-chloro-2-(6-methoxy-2-pyridinyl)-6-(2-methylpropyl)pyrimidine (CID 103347915) is 5-bromo-4-chloro-2-(6-methoxy-2-pyridinyl)-6-(2-methylpropyl)pyrimidine.
What is the SMILES notation for 5-bromo-4-chloro-2-(6-methoxy-2-pyridinyl)-6-(2-methylpropyl)pyrimidine?
The canonical SMILES for 5-bromo-4-chloro-2-(6-methoxy-2-pyridinyl)-6-(2-methylpropyl)pyrimidine is COc1cccc(-c2nc(Cl)c(Br)c(CC(C)C)n2)n1.
What is the InChIKey of 5-bromo-4-chloro-2-(6-methoxy-2-pyridinyl)-6-(2-methylpropyl)pyrimidine?
The InChIKey is CSNJOHDDHVWXEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrClN3O/c1-8(2)7-10-12(15)13(16)19-14(18-10)9-5-4-6-11(17-9)20-3/h4-6,8H,7H2,1-3H3.
What are the key properties of 5-bromo-4-chloro-2-(6-methoxy-2-pyridinyl)-6-(2-methylpropyl)pyrimidine?
5-bromo-4-chloro-2-(6-methoxy-2-pyridinyl)-6-(2-methylpropyl)pyrimidine has a molecular weight of 356.65 g/mol, XLogP of 4.16, 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-(2-methylpropyl)pyrimidine is sourced from PubChem (CID 103347915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).