5-bromo-6-methyl-2-phenylpyrimidin-4-amine

C11H10BrN3 — CID 66304858

IUPAC5-bromo-6-methyl-2-phenylpyrimidin-4-amine
SMILESCc1nc(-c2ccccc2)nc(N)c1Br
InChIInChI=1S/C11H10BrN3/c1-7-9(12)10(13)15-11(14-7)8-5-3-2-4-6-8/h2-6H,1H3,(H2,13,14,15)
InChIKeyFCWBSPAPRYNRNH-UHFFFAOYSA-N
MW264.13 g/mol
LogP2.80
Rot. Bonds1

About 5-bromo-6-methyl-2-phenylpyrimidin-4-amine

5-bromo-6-methyl-2-phenylpyrimidin-4-amine (PubChem CID 66304858) has the molecular formula C11H10BrN3 and a molecular weight of 264.13 g/mol. Its IUPAC name is 5-bromo-6-methyl-2-phenylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-6-methyl-2-phenylpyrimidin-4-amine
PubChem CID66304858
Molecular FormulaC11H10BrN3
Molecular Weight264.13 g/mol
Exact Mass263.01
IUPAC Name5-bromo-6-methyl-2-phenylpyrimidin-4-amine
SMILESCc1nc(-c2ccccc2)nc(N)c1Br
InChIInChI=1S/C11H10BrN3/c1-7-9(12)10(13)15-11(14-7)8-5-3-2-4-6-8/h2-6H,1H3,(H2,13,14,15)
InChIKeyFCWBSPAPRYNRNH-UHFFFAOYSA-N
XLogP2.80
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.13
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-methyl-2-phenylpyrimidin-4-amine?
The IUPAC name of 5-bromo-6-methyl-2-phenylpyrimidin-4-amine (CID 66304858) is 5-bromo-6-methyl-2-phenylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-6-methyl-2-phenylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-6-methyl-2-phenylpyrimidin-4-amine is Cc1nc(-c2ccccc2)nc(N)c1Br.
What is the InChIKey of 5-bromo-6-methyl-2-phenylpyrimidin-4-amine?
The InChIKey is FCWBSPAPRYNRNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrN3/c1-7-9(12)10(13)15-11(14-7)8-5-3-2-4-6-8/h2-6H,1H3,(H2,13,14,15).
What are the key properties of 5-bromo-6-methyl-2-phenylpyrimidin-4-amine?
5-bromo-6-methyl-2-phenylpyrimidin-4-amine has a molecular weight of 264.13 g/mol, XLogP of 2.80, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-methyl-2-phenylpyrimidin-4-amine is sourced from PubChem (CID 66304858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).