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

C15H16BrN3 — CID 66294324

IUPAC5-bromo-2-cyclobutyl-N-methyl-6-phenylpyrimidin-4-amine
SMILESCNc1nc(C2CCC2)nc(-c2ccccc2)c1Br
InChIInChI=1S/C15H16BrN3/c1-17-15-12(16)13(10-6-3-2-4-7-10)18-14(19-15)11-8-5-9-11/h2-4,6-7,11H,5,8-9H2,1H3,(H,17,18,19)
InChIKeyLHTWTHUTKDVFQF-UHFFFAOYSA-N
MW318.22 g/mol
LogP4.22
Rot. Bonds3

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

5-bromo-2-cyclobutyl-N-methyl-6-phenylpyrimidin-4-amine (PubChem CID 66294324) has the molecular formula C15H16BrN3 and a molecular weight of 318.22 g/mol. Its IUPAC name is 5-bromo-2-cyclobutyl-N-methyl-6-phenylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-cyclobutyl-N-methyl-6-phenylpyrimidin-4-amine
PubChem CID66294324
Molecular FormulaC15H16BrN3
Molecular Weight318.22 g/mol
Exact Mass317.05
IUPAC Name5-bromo-2-cyclobutyl-N-methyl-6-phenylpyrimidin-4-amine
SMILESCNc1nc(C2CCC2)nc(-c2ccccc2)c1Br
InChIInChI=1S/C15H16BrN3/c1-17-15-12(16)13(10-6-3-2-4-7-10)18-14(19-15)11-8-5-9-11/h2-4,6-7,11H,5,8-9H2,1H3,(H,17,18,19)
InChIKeyLHTWTHUTKDVFQF-UHFFFAOYSA-N
XLogP4.22
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.22
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-cyclobutyl-N-methyl-6-phenylpyrimidin-4-amine?
The IUPAC name of 5-bromo-2-cyclobutyl-N-methyl-6-phenylpyrimidin-4-amine (CID 66294324) is 5-bromo-2-cyclobutyl-N-methyl-6-phenylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-cyclobutyl-N-methyl-6-phenylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-cyclobutyl-N-methyl-6-phenylpyrimidin-4-amine is CNc1nc(C2CCC2)nc(-c2ccccc2)c1Br.
What is the InChIKey of 5-bromo-2-cyclobutyl-N-methyl-6-phenylpyrimidin-4-amine?
The InChIKey is LHTWTHUTKDVFQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN3/c1-17-15-12(16)13(10-6-3-2-4-7-10)18-14(19-15)11-8-5-9-11/h2-4,6-7,11H,5,8-9H2,1H3,(H,17,18,19).
What are the key properties of 5-bromo-2-cyclobutyl-N-methyl-6-phenylpyrimidin-4-amine?
5-bromo-2-cyclobutyl-N-methyl-6-phenylpyrimidin-4-amine has a molecular weight of 318.22 g/mol, XLogP of 4.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-cyclobutyl-N-methyl-6-phenylpyrimidin-4-amine is sourced from PubChem (CID 66294324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).