5-bromo-2-(2-methylpyrimidin-4-yl)-6-phenylpyrimidin-4-amine

C15H12BrN5 — CID 115528465

IUPAC5-bromo-2-(2-methylpyrimidin-4-yl)-6-phenylpyrimidin-4-amine
SMILESCc1nccc(-c2nc(N)c(Br)c(-c3ccccc3)n2)n1
InChIInChI=1S/C15H12BrN5/c1-9-18-8-7-11(19-9)15-20-13(12(16)14(17)21-15)10-5-3-2-4-6-10/h2-8H,1H3,(H2,17,20,21)
InChIKeyMHAHWWGSNIKWPH-UHFFFAOYSA-N
MW342.20 g/mol
LogP3.25
Rot. Bonds2

About 5-bromo-2-(2-methylpyrimidin-4-yl)-6-phenylpyrimidin-4-amine

5-bromo-2-(2-methylpyrimidin-4-yl)-6-phenylpyrimidin-4-amine (PubChem CID 115528465) has the molecular formula C15H12BrN5 and a molecular weight of 342.20 g/mol. Its IUPAC name is 5-bromo-2-(2-methylpyrimidin-4-yl)-6-phenylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-(2-methylpyrimidin-4-yl)-6-phenylpyrimidin-4-amine
PubChem CID115528465
Molecular FormulaC15H12BrN5
Molecular Weight342.20 g/mol
Exact Mass341.03
IUPAC Name5-bromo-2-(2-methylpyrimidin-4-yl)-6-phenylpyrimidin-4-amine
SMILESCc1nccc(-c2nc(N)c(Br)c(-c3ccccc3)n2)n1
InChIInChI=1S/C15H12BrN5/c1-9-18-8-7-11(19-9)15-20-13(12(16)14(17)21-15)10-5-3-2-4-6-10/h2-8H,1H3,(H2,17,20,21)
InChIKeyMHAHWWGSNIKWPH-UHFFFAOYSA-N
XLogP3.25
TPSA77.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.20
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-2-(6-methyl-2-pyridinyl)-6-phenylpyrimidin-4-amine
CID 66291892
5-bromo-6-cyclopropyl-2-(2-methylpyrimidin-4-yl)pyrimidin-4-amine
CID 115528547
5-bromo-2-(5-fluoro-2-pyridinyl)-6-phenylpyrimidin-4-amine
CID 79713719
5-bromo-2-(2-methylpyrimidin-4-yl)-6-propylpyrimidin-4-amine
CID 115528480
4-(3,5-diphenylphenyl)-2-methylpyrimidine
CID 129265272
5-bromo-2-(5-methylfuran-2-yl)-6-phenylpyrimidin-4-amine
CID 66302594
5-bromo-2-(3-bromofuran-2-yl)-6-phenylpyrimidin-4-amine
CID 106889232
5-bromo-6-methyl-2-phenylpyrimidin-4-amine
CID 66304858
5-methyl-2-(5-methylpyrimidin-2-yl)-6-phenylpyrimidin-4-amine
CID 104846665
5-bromo-4-chloro-2-(5-methyl-2-pyridinyl)-6-phenylpyrimidine
CID 81308439
5-methyl-2-(2-methylphenyl)-6-phenylpyrimidin-4-amine
CID 104846734
5-bromo-4-chloro-6-ethyl-2-(2-methylpyrimidin-4-yl)pyrimidine
CID 115527526

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(2-methylpyrimidin-4-yl)-6-phenylpyrimidin-4-amine?
The IUPAC name of 5-bromo-2-(2-methylpyrimidin-4-yl)-6-phenylpyrimidin-4-amine (CID 115528465) is 5-bromo-2-(2-methylpyrimidin-4-yl)-6-phenylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-(2-methylpyrimidin-4-yl)-6-phenylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-(2-methylpyrimidin-4-yl)-6-phenylpyrimidin-4-amine is Cc1nccc(-c2nc(N)c(Br)c(-c3ccccc3)n2)n1.
What is the InChIKey of 5-bromo-2-(2-methylpyrimidin-4-yl)-6-phenylpyrimidin-4-amine?
The InChIKey is MHAHWWGSNIKWPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrN5/c1-9-18-8-7-11(19-9)15-20-13(12(16)14(17)21-15)10-5-3-2-4-6-10/h2-8H,1H3,(H2,17,20,21).
What are the key properties of 5-bromo-2-(2-methylpyrimidin-4-yl)-6-phenylpyrimidin-4-amine?
5-bromo-2-(2-methylpyrimidin-4-yl)-6-phenylpyrimidin-4-amine has a molecular weight of 342.20 g/mol, XLogP of 3.25, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(2-methylpyrimidin-4-yl)-6-phenylpyrimidin-4-amine is sourced from PubChem (CID 115528465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).