2-[4-(5-bromo-2-fluorophenyl)-6-methylpyrimidin-2-yl]-2-methylpropan-1-amine

C15H17BrFN3 — CID 116892809

IUPAC2-[4-(5-bromo-2-fluorophenyl)-6-methylpyrimidin-2-yl]-2-methylpropan-1-amine
SMILESCc1cc(-c2cc(Br)ccc2F)nc(C(C)(C)CN)n1
InChIInChI=1S/C15H17BrFN3/c1-9-6-13(11-7-10(16)4-5-12(11)17)20-14(19-9)15(2,3)8-18/h4-7H,8,18H2,1-3H3
InChIKeyRKYPQBAVNKDRJQ-UHFFFAOYSA-N
MW338.22 g/mol
LogP3.59
Rot. Bonds3

About 2-[4-(5-bromo-2-fluorophenyl)-6-methylpyrimidin-2-yl]-2-methylpropan-1-amine

2-[4-(5-bromo-2-fluorophenyl)-6-methylpyrimidin-2-yl]-2-methylpropan-1-amine (PubChem CID 116892809) has the molecular formula C15H17BrFN3 and a molecular weight of 338.22 g/mol. Its IUPAC name is 2-[4-(5-bromo-2-fluorophenyl)-6-methylpyrimidin-2-yl]-2-methylpropan-1-amine.

Molecular Properties

Compound Name2-[4-(5-bromo-2-fluorophenyl)-6-methylpyrimidin-2-yl]-2-methylpropan-1-amine
PubChem CID116892809
Molecular FormulaC15H17BrFN3
Molecular Weight338.22 g/mol
Exact Mass337.06
IUPAC Name2-[4-(5-bromo-2-fluorophenyl)-6-methylpyrimidin-2-yl]-2-methylpropan-1-amine
SMILESCc1cc(-c2cc(Br)ccc2F)nc(C(C)(C)CN)n1
InChIInChI=1S/C15H17BrFN3/c1-9-6-13(11-7-10(16)4-5-12(11)17)20-14(19-9)15(2,3)8-18/h4-7H,8,18H2,1-3H3
InChIKeyRKYPQBAVNKDRJQ-UHFFFAOYSA-N
XLogP3.59
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.22
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-(5-bromo-2-fluorophenyl)-6-methylpyrimidin-2-yl]propan-1-amine
CID 116892899
[4-(5-bromo-2-fluorophenyl)-6-methylpyrimidin-2-yl]hydrazine
CID 116897173
6-(5-bromo-2-fluorophenyl)-2-methylpyrimidin-4-amine
CID 79742709
2-[4-(5-bromo-2-methoxyphenyl)-6-methylpyrimidin-2-yl]propan-2-amine
CID 116892562
[1-[4-(5-bromo-2-fluorophenyl)-6-methylpyrimidin-2-yl]cyclopropyl]methanol
CID 116896019
[4-(5-chloro-2-fluorophenyl)-6-methylpyrimidin-2-yl]methanamine
CID 82481340
3-methyl-3-[4-methyl-6-(2-methylphenyl)pyrimidin-2-yl]butan-1-amine
CID 116893087
4-(2-fluoro-5-methylphenyl)-6-methylpyrimidin-2-amine
CID 56704999
2-[4-(5-bromo-2-fluorophenyl)-1,3-thiazol-2-yl]aniline
CID 82966780
2-N-[5-(5-bromo-2-fluorophenyl)pyrimidin-2-yl]-2-methylpropane-1,2-diamine
CID 116974351
[1-[4-(5-bromo-2-methylphenyl)-6-methylpyrimidin-2-yl]cyclopropyl]methanamine
CID 116896060
2-[2-(5-bromo-2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]propan-2-amine
CID 116884518

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-bromo-2-fluorophenyl)-6-methylpyrimidin-2-yl]-2-methylpropan-1-amine?
The IUPAC name of 2-[4-(5-bromo-2-fluorophenyl)-6-methylpyrimidin-2-yl]-2-methylpropan-1-amine (CID 116892809) is 2-[4-(5-bromo-2-fluorophenyl)-6-methylpyrimidin-2-yl]-2-methylpropan-1-amine.
What is the SMILES notation for 2-[4-(5-bromo-2-fluorophenyl)-6-methylpyrimidin-2-yl]-2-methylpropan-1-amine?
The canonical SMILES for 2-[4-(5-bromo-2-fluorophenyl)-6-methylpyrimidin-2-yl]-2-methylpropan-1-amine is Cc1cc(-c2cc(Br)ccc2F)nc(C(C)(C)CN)n1.
What is the InChIKey of 2-[4-(5-bromo-2-fluorophenyl)-6-methylpyrimidin-2-yl]-2-methylpropan-1-amine?
The InChIKey is RKYPQBAVNKDRJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrFN3/c1-9-6-13(11-7-10(16)4-5-12(11)17)20-14(19-9)15(2,3)8-18/h4-7H,8,18H2,1-3H3.
What are the key properties of 2-[4-(5-bromo-2-fluorophenyl)-6-methylpyrimidin-2-yl]-2-methylpropan-1-amine?
2-[4-(5-bromo-2-fluorophenyl)-6-methylpyrimidin-2-yl]-2-methylpropan-1-amine has a molecular weight of 338.22 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-bromo-2-fluorophenyl)-6-methylpyrimidin-2-yl]-2-methylpropan-1-amine is sourced from PubChem (CID 116892809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).