5-bromo-2-(6-methyl-2-pyridinyl)-6-phenylpyrimidin-4-amine

C16H13BrN4 — CID 66291892

IUPAC5-bromo-2-(6-methyl-2-pyridinyl)-6-phenylpyrimidin-4-amine
SMILESCc1cccc(-c2nc(N)c(Br)c(-c3ccccc3)n2)n1
InChIInChI=1S/C16H13BrN4/c1-10-6-5-9-12(19-10)16-20-14(13(17)15(18)21-16)11-7-3-2-4-8-11/h2-9H,1H3,(H2,18,20,21)
InChIKeyLVWIDJPYEURGCW-UHFFFAOYSA-N
MW341.21 g/mol
LogP3.86
Rot. Bonds2

About 5-bromo-2-(6-methyl-2-pyridinyl)-6-phenylpyrimidin-4-amine

5-bromo-2-(6-methyl-2-pyridinyl)-6-phenylpyrimidin-4-amine (PubChem CID 66291892) has the molecular formula C16H13BrN4 and a molecular weight of 341.21 g/mol. Its IUPAC name is 5-bromo-2-(6-methyl-2-pyridinyl)-6-phenylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-(6-methyl-2-pyridinyl)-6-phenylpyrimidin-4-amine
PubChem CID66291892
Molecular FormulaC16H13BrN4
Molecular Weight341.21 g/mol
Exact Mass340.03
IUPAC Name5-bromo-2-(6-methyl-2-pyridinyl)-6-phenylpyrimidin-4-amine
SMILESCc1cccc(-c2nc(N)c(Br)c(-c3ccccc3)n2)n1
InChIInChI=1S/C16H13BrN4/c1-10-6-5-9-12(19-10)16-20-14(13(17)15(18)21-16)11-7-3-2-4-8-11/h2-9H,1H3,(H2,18,20,21)
InChIKeyLVWIDJPYEURGCW-UHFFFAOYSA-N
XLogP3.86
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.21
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(6-methyl-2-pyridinyl)-6-phenylpyrimidin-4-amine?
The IUPAC name of 5-bromo-2-(6-methyl-2-pyridinyl)-6-phenylpyrimidin-4-amine (CID 66291892) is 5-bromo-2-(6-methyl-2-pyridinyl)-6-phenylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-(6-methyl-2-pyridinyl)-6-phenylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-(6-methyl-2-pyridinyl)-6-phenylpyrimidin-4-amine is Cc1cccc(-c2nc(N)c(Br)c(-c3ccccc3)n2)n1.
What is the InChIKey of 5-bromo-2-(6-methyl-2-pyridinyl)-6-phenylpyrimidin-4-amine?
The InChIKey is LVWIDJPYEURGCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrN4/c1-10-6-5-9-12(19-10)16-20-14(13(17)15(18)21-16)11-7-3-2-4-8-11/h2-9H,1H3,(H2,18,20,21).
What are the key properties of 5-bromo-2-(6-methyl-2-pyridinyl)-6-phenylpyrimidin-4-amine?
5-bromo-2-(6-methyl-2-pyridinyl)-6-phenylpyrimidin-4-amine has a molecular weight of 341.21 g/mol, XLogP of 3.86, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(6-methyl-2-pyridinyl)-6-phenylpyrimidin-4-amine is sourced from PubChem (CID 66291892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).