5-bromo-N-(2-fluoropyrimidin-4-yl)-N-methyl-2-phenylpyrimidin-4-amine

C15H11BrFN5 — CID 69376821

IUPAC5-bromo-N-(2-fluoropyrimidin-4-yl)-N-methyl-2-phenylpyrimidin-4-amine
SMILESCN(c1ccnc(F)n1)c1nc(-c2ccccc2)ncc1Br
InChIInChI=1S/C15H11BrFN5/c1-22(12-7-8-18-15(17)20-12)14-11(16)9-19-13(21-14)10-5-3-2-4-6-10/h2-9H,1H3
InChIKeyOTHORRUOTCFWHJ-UHFFFAOYSA-N
MW360.19 g/mol
LogP3.60
Rot. Bonds3

About 5-bromo-N-(2-fluoropyrimidin-4-yl)-N-methyl-2-phenylpyrimidin-4-amine

5-bromo-N-(2-fluoropyrimidin-4-yl)-N-methyl-2-phenylpyrimidin-4-amine (PubChem CID 69376821) has the molecular formula C15H11BrFN5 and a molecular weight of 360.19 g/mol. Its IUPAC name is 5-bromo-N-(2-fluoropyrimidin-4-yl)-N-methyl-2-phenylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-N-(2-fluoropyrimidin-4-yl)-N-methyl-2-phenylpyrimidin-4-amine
PubChem CID69376821
Molecular FormulaC15H11BrFN5
Molecular Weight360.19 g/mol
Exact Mass359.02
IUPAC Name5-bromo-N-(2-fluoropyrimidin-4-yl)-N-methyl-2-phenylpyrimidin-4-amine
SMILESCN(c1ccnc(F)n1)c1nc(-c2ccccc2)ncc1Br
InChIInChI=1S/C15H11BrFN5/c1-22(12-7-8-18-15(17)20-12)14-11(16)9-19-13(21-14)10-5-3-2-4-6-10/h2-9H,1H3
InChIKeyOTHORRUOTCFWHJ-UHFFFAOYSA-N
XLogP3.60
TPSA54.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.19
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-fluoropyrimidin-4-yl)-N-methyl-2-phenylpyrimidin-4-amine?
The IUPAC name of 5-bromo-N-(2-fluoropyrimidin-4-yl)-N-methyl-2-phenylpyrimidin-4-amine (CID 69376821) is 5-bromo-N-(2-fluoropyrimidin-4-yl)-N-methyl-2-phenylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-N-(2-fluoropyrimidin-4-yl)-N-methyl-2-phenylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-N-(2-fluoropyrimidin-4-yl)-N-methyl-2-phenylpyrimidin-4-amine is CN(c1ccnc(F)n1)c1nc(-c2ccccc2)ncc1Br.
What is the InChIKey of 5-bromo-N-(2-fluoropyrimidin-4-yl)-N-methyl-2-phenylpyrimidin-4-amine?
The InChIKey is OTHORRUOTCFWHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrFN5/c1-22(12-7-8-18-15(17)20-12)14-11(16)9-19-13(21-14)10-5-3-2-4-6-10/h2-9H,1H3.
What are the key properties of 5-bromo-N-(2-fluoropyrimidin-4-yl)-N-methyl-2-phenylpyrimidin-4-amine?
5-bromo-N-(2-fluoropyrimidin-4-yl)-N-methyl-2-phenylpyrimidin-4-amine has a molecular weight of 360.19 g/mol, XLogP of 3.60, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-fluoropyrimidin-4-yl)-N-methyl-2-phenylpyrimidin-4-amine is sourced from PubChem (CID 69376821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).