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

C15H12BrN3O — CID 66302594

IUPAC5-bromo-2-(5-methylfuran-2-yl)-6-phenylpyrimidin-4-amine
SMILESCc1ccc(-c2nc(N)c(Br)c(-c3ccccc3)n2)o1
InChIInChI=1S/C15H12BrN3O/c1-9-7-8-11(20-9)15-18-13(12(16)14(17)19-15)10-5-3-2-4-6-10/h2-8H,1H3,(H2,17,18,19)
InChIKeyKZLDEEDAYRDZDO-UHFFFAOYSA-N
MW330.19 g/mol
LogP4.06
Rot. Bonds2

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

5-bromo-2-(5-methylfuran-2-yl)-6-phenylpyrimidin-4-amine (PubChem CID 66302594) has the molecular formula C15H12BrN3O and a molecular weight of 330.19 g/mol. Its IUPAC name is 5-bromo-2-(5-methylfuran-2-yl)-6-phenylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-(5-methylfuran-2-yl)-6-phenylpyrimidin-4-amine
PubChem CID66302594
Molecular FormulaC15H12BrN3O
Molecular Weight330.19 g/mol
Exact Mass329.02
IUPAC Name5-bromo-2-(5-methylfuran-2-yl)-6-phenylpyrimidin-4-amine
SMILESCc1ccc(-c2nc(N)c(Br)c(-c3ccccc3)n2)o1
InChIInChI=1S/C15H12BrN3O/c1-9-7-8-11(20-9)15-18-13(12(16)14(17)19-15)10-5-3-2-4-6-10/h2-8H,1H3,(H2,17,18,19)
InChIKeyKZLDEEDAYRDZDO-UHFFFAOYSA-N
XLogP4.06
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.19
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(5-methylfuran-2-yl)-6-phenylpyrimidin-4-amine?
The IUPAC name of 5-bromo-2-(5-methylfuran-2-yl)-6-phenylpyrimidin-4-amine (CID 66302594) is 5-bromo-2-(5-methylfuran-2-yl)-6-phenylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-(5-methylfuran-2-yl)-6-phenylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-(5-methylfuran-2-yl)-6-phenylpyrimidin-4-amine is Cc1ccc(-c2nc(N)c(Br)c(-c3ccccc3)n2)o1.
What is the InChIKey of 5-bromo-2-(5-methylfuran-2-yl)-6-phenylpyrimidin-4-amine?
The InChIKey is KZLDEEDAYRDZDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrN3O/c1-9-7-8-11(20-9)15-18-13(12(16)14(17)19-15)10-5-3-2-4-6-10/h2-8H,1H3,(H2,17,18,19).
What are the key properties of 5-bromo-2-(5-methylfuran-2-yl)-6-phenylpyrimidin-4-amine?
5-bromo-2-(5-methylfuran-2-yl)-6-phenylpyrimidin-4-amine has a molecular weight of 330.19 g/mol, XLogP of 4.06, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(5-methylfuran-2-yl)-6-phenylpyrimidin-4-amine is sourced from PubChem (CID 66302594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).