5-(5-bromo-2-fluorophenyl)-N-methylpyrimidin-2-amine

C11H9BrFN3 — CID 116977034

IUPAC5-(5-bromo-2-fluorophenyl)-N-methylpyrimidin-2-amine
SMILESCNc1ncc(-c2cc(Br)ccc2F)cn1
InChIInChI=1S/C11H9BrFN3/c1-14-11-15-5-7(6-16-11)9-4-8(12)2-3-10(9)13/h2-6H,1H3,(H,14,15,16)
InChIKeyYZPCMMOJRKOTJH-UHFFFAOYSA-N
MW282.12 g/mol
LogP3.09
Rot. Bonds2

About 5-(5-bromo-2-fluorophenyl)-N-methylpyrimidin-2-amine

5-(5-bromo-2-fluorophenyl)-N-methylpyrimidin-2-amine (PubChem CID 116977034) has the molecular formula C11H9BrFN3 and a molecular weight of 282.12 g/mol. Its IUPAC name is 5-(5-bromo-2-fluorophenyl)-N-methylpyrimidin-2-amine.

Molecular Properties

Compound Name5-(5-bromo-2-fluorophenyl)-N-methylpyrimidin-2-amine
PubChem CID116977034
Molecular FormulaC11H9BrFN3
Molecular Weight282.12 g/mol
Exact Mass281.00
IUPAC Name5-(5-bromo-2-fluorophenyl)-N-methylpyrimidin-2-amine
SMILESCNc1ncc(-c2cc(Br)ccc2F)cn1
InChIInChI=1S/C11H9BrFN3/c1-14-11-15-5-7(6-16-11)9-4-8(12)2-3-10(9)13/h2-6H,1H3,(H,14,15,16)
InChIKeyYZPCMMOJRKOTJH-UHFFFAOYSA-N
XLogP3.09
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.12
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(5-chloro-2-fluorophenyl)-N-methylpyrimidin-2-amine
CID 116977013
2-[[5-(5-bromo-2-fluorophenyl)pyrimidin-2-yl]amino]acetonitrile
CID 116975651
1-N-[5-(5-bromo-2-fluorophenyl)pyrimidin-2-yl]propane-1,2-diamine
CID 116974314
2-N-[5-(5-bromo-2-fluorophenyl)pyrimidin-2-yl]-2-methylpropane-1,2-diamine
CID 116974351
1-N-[5-(5-bromo-2-fluorophenyl)pyrimidin-2-yl]butane-1,3-diamine
CID 116974554
4-(5-bromo-2-fluorophenyl)-N-methylaniline
CID 116962519
5-(2,5-difluoro-4-methoxyphenyl)-N-methylpyrimidin-2-amine
CID 116977036
6-(5-bromo-2-fluorophenyl)-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine
CID 79743592
4-(5-bromo-2-fluorophenoxy)-5-fluoro-N-methylpyrimidin-2-amine
CID 114677329
4-(5-bromo-2-fluorophenyl)-2-(methylamino)pyridine-3-carboxylic acid
CID 84606236
5-bromo-4-(4-bromo-2-fluorophenoxy)-N-methylpyrimidin-2-amine
CID 80881931
4-(5-bromo-2-fluorophenyl)-2,6-dichloropyridine
CID 84604363

Frequently Asked Questions

What is the IUPAC name of 5-(5-bromo-2-fluorophenyl)-N-methylpyrimidin-2-amine?
The IUPAC name of 5-(5-bromo-2-fluorophenyl)-N-methylpyrimidin-2-amine (CID 116977034) is 5-(5-bromo-2-fluorophenyl)-N-methylpyrimidin-2-amine.
What is the SMILES notation for 5-(5-bromo-2-fluorophenyl)-N-methylpyrimidin-2-amine?
The canonical SMILES for 5-(5-bromo-2-fluorophenyl)-N-methylpyrimidin-2-amine is CNc1ncc(-c2cc(Br)ccc2F)cn1.
What is the InChIKey of 5-(5-bromo-2-fluorophenyl)-N-methylpyrimidin-2-amine?
The InChIKey is YZPCMMOJRKOTJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrFN3/c1-14-11-15-5-7(6-16-11)9-4-8(12)2-3-10(9)13/h2-6H,1H3,(H,14,15,16).
What are the key properties of 5-(5-bromo-2-fluorophenyl)-N-methylpyrimidin-2-amine?
5-(5-bromo-2-fluorophenyl)-N-methylpyrimidin-2-amine has a molecular weight of 282.12 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-bromo-2-fluorophenyl)-N-methylpyrimidin-2-amine is sourced from PubChem (CID 116977034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).