5-bromo-2-(5-bromo-6-methoxypyrimidin-4-yl)-4-phenylpyrimidine

C15H10Br2N4O — CID 123212797

IUPAC5-bromo-2-(5-bromo-6-methoxypyrimidin-4-yl)-4-phenylpyrimidine
SMILESCOc1ncnc(-c2ncc(Br)c(-c3ccccc3)n2)c1Br
InChIInChI=1S/C15H10Br2N4O/c1-22-15-11(17)13(19-8-20-15)14-18-7-10(16)12(21-14)9-5-3-2-4-6-9/h2-8H,1H3
InChIKeyXYEJBKGYIFQFGH-UHFFFAOYSA-N
MW422.08 g/mol
LogP4.13
Rot. Bonds3

About 5-bromo-2-(5-bromo-6-methoxypyrimidin-4-yl)-4-phenylpyrimidine

5-bromo-2-(5-bromo-6-methoxypyrimidin-4-yl)-4-phenylpyrimidine (PubChem CID 123212797) has the molecular formula C15H10Br2N4O and a molecular weight of 422.08 g/mol. Its IUPAC name is 5-bromo-2-(5-bromo-6-methoxypyrimidin-4-yl)-4-phenylpyrimidine.

Molecular Properties

Compound Name5-bromo-2-(5-bromo-6-methoxypyrimidin-4-yl)-4-phenylpyrimidine
PubChem CID123212797
Molecular FormulaC15H10Br2N4O
Molecular Weight422.08 g/mol
Exact Mass419.92
IUPAC Name5-bromo-2-(5-bromo-6-methoxypyrimidin-4-yl)-4-phenylpyrimidine
SMILESCOc1ncnc(-c2ncc(Br)c(-c3ccccc3)n2)c1Br
InChIInChI=1S/C15H10Br2N4O/c1-22-15-11(17)13(19-8-20-15)14-18-7-10(16)12(21-14)9-5-3-2-4-6-9/h2-8H,1H3
InChIKeyXYEJBKGYIFQFGH-UHFFFAOYSA-N
XLogP4.13
TPSA60.79 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.08
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4-methoxy-6-phenylpyrimidin-5-yl)methanamine
CID 105468562
4,5,10,11-tetramethoxy-16,17-diphenyl-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2(7),3,5,8(13),9,11,15,17-nonaene
CID 59650549
2-methoxy-5-methyl-3-phenylpyrazine
CID 13123635
2-methoxy-3,5-diphenylpyrazine
CID 13123633
4-methoxy-5-phenyl-2,6-dipyridin-4-ylpyrimidine
CID 23000521
5-bromo-4-methoxy-2-phenylpyridine
CID 139429745
4-methoxy-6-phenyl-7H-pyrimido[4,5-b][1,4]thiazine
CID 13141416
8-methoxy-6-phenyl-7H-purine
CID 11390499
(5-iodo-2,4-diphenyl-3-pyridinyl)-(4-methoxyphenyl)methanone
CID 132560330
2-methoxy-3-methyl-5-phenylpyrazine
CID 13123634
5-methoxy-6-phenyl-3-pyridin-2-yl-1,2,4-triazine
CID 6405145
5-bromo-4-(4-methoxyphenoxy)pyrimidine
CID 66317769

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(5-bromo-6-methoxypyrimidin-4-yl)-4-phenylpyrimidine?
The IUPAC name of 5-bromo-2-(5-bromo-6-methoxypyrimidin-4-yl)-4-phenylpyrimidine (CID 123212797) is 5-bromo-2-(5-bromo-6-methoxypyrimidin-4-yl)-4-phenylpyrimidine.
What is the SMILES notation for 5-bromo-2-(5-bromo-6-methoxypyrimidin-4-yl)-4-phenylpyrimidine?
The canonical SMILES for 5-bromo-2-(5-bromo-6-methoxypyrimidin-4-yl)-4-phenylpyrimidine is COc1ncnc(-c2ncc(Br)c(-c3ccccc3)n2)c1Br.
What is the InChIKey of 5-bromo-2-(5-bromo-6-methoxypyrimidin-4-yl)-4-phenylpyrimidine?
The InChIKey is XYEJBKGYIFQFGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Br2N4O/c1-22-15-11(17)13(19-8-20-15)14-18-7-10(16)12(21-14)9-5-3-2-4-6-9/h2-8H,1H3.
What are the key properties of 5-bromo-2-(5-bromo-6-methoxypyrimidin-4-yl)-4-phenylpyrimidine?
5-bromo-2-(5-bromo-6-methoxypyrimidin-4-yl)-4-phenylpyrimidine has a molecular weight of 422.08 g/mol, XLogP of 4.13, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(5-bromo-6-methoxypyrimidin-4-yl)-4-phenylpyrimidine is sourced from PubChem (CID 123212797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).