5-bromo-2-(3,4-difluorophenyl)-6-methylpyrimidin-4-amine

C11H8BrF2N3 — CID 66304664

IUPAC5-bromo-2-(3,4-difluorophenyl)-6-methylpyrimidin-4-amine
SMILESCc1nc(-c2ccc(F)c(F)c2)nc(N)c1Br
InChIInChI=1S/C11H8BrF2N3/c1-5-9(12)10(15)17-11(16-5)6-2-3-7(13)8(14)4-6/h2-4H,1H3,(H2,15,16,17)
InChIKeyPGIQWAFFKBRXBO-UHFFFAOYSA-N
MW300.11 g/mol
LogP3.07
Rot. Bonds1

About 5-bromo-2-(3,4-difluorophenyl)-6-methylpyrimidin-4-amine

5-bromo-2-(3,4-difluorophenyl)-6-methylpyrimidin-4-amine (PubChem CID 66304664) has the molecular formula C11H8BrF2N3 and a molecular weight of 300.11 g/mol. Its IUPAC name is 5-bromo-2-(3,4-difluorophenyl)-6-methylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-(3,4-difluorophenyl)-6-methylpyrimidin-4-amine
PubChem CID66304664
Molecular FormulaC11H8BrF2N3
Molecular Weight300.11 g/mol
Exact Mass298.99
IUPAC Name5-bromo-2-(3,4-difluorophenyl)-6-methylpyrimidin-4-amine
SMILESCc1nc(-c2ccc(F)c(F)c2)nc(N)c1Br
InChIInChI=1S/C11H8BrF2N3/c1-5-9(12)10(15)17-11(16-5)6-2-3-7(13)8(14)4-6/h2-4H,1H3,(H2,15,16,17)
InChIKeyPGIQWAFFKBRXBO-UHFFFAOYSA-N
XLogP3.07
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.11
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-(3-fluoro-4-methoxyphenyl)-6-methylpyrimidin-4-amine
CID 66303209
5-bromo-6-methyl-2-phenylpyrimidin-4-amine
CID 66304858
2-(3-fluoro-4-methylphenyl)-5-iodo-6-methylpyrimidin-4-amine
CID 66306892
2-[2-(3,4-difluorophenyl)-4,6-dimethylpyrimidin-5-yl]propan-1-amine
CID 62745958
5-bromo-2-(2-bromo-5-chlorophenyl)-6-methylpyrimidin-4-amine
CID 66303833
2-(3-fluoro-4-methoxyphenyl)-5,6-dimethylpyrimidin-4-amine
CID 65101012
5-bromo-2-(4-bromo-3-fluorophenyl)-6-tert-butylpyrimidin-4-amine
CID 81440655
5-bromo-2-(3-bromo-4-fluorophenyl)-6-tert-butylpyrimidin-4-amine
CID 82801275
6-(4-bromo-3-fluorophenyl)-1,3,5-triazine-2,4-diamine
CID 112681578
5-bromo-6-methyl-2-(1-methyl-2,3-dihydroindol-5-yl)pyrimidin-4-amine
CID 66303212
4-bromo-5-(3,4-difluorophenyl)-1,2-oxazol-3-amine
CID 79556113
2-(4-bromo-3,5-dimethylphenyl)-5-fluoro-6-methylpyrimidin-4-amine
CID 114330977

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(3,4-difluorophenyl)-6-methylpyrimidin-4-amine?
The IUPAC name of 5-bromo-2-(3,4-difluorophenyl)-6-methylpyrimidin-4-amine (CID 66304664) is 5-bromo-2-(3,4-difluorophenyl)-6-methylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-(3,4-difluorophenyl)-6-methylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-(3,4-difluorophenyl)-6-methylpyrimidin-4-amine is Cc1nc(-c2ccc(F)c(F)c2)nc(N)c1Br.
What is the InChIKey of 5-bromo-2-(3,4-difluorophenyl)-6-methylpyrimidin-4-amine?
The InChIKey is PGIQWAFFKBRXBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrF2N3/c1-5-9(12)10(15)17-11(16-5)6-2-3-7(13)8(14)4-6/h2-4H,1H3,(H2,15,16,17).
What are the key properties of 5-bromo-2-(3,4-difluorophenyl)-6-methylpyrimidin-4-amine?
5-bromo-2-(3,4-difluorophenyl)-6-methylpyrimidin-4-amine has a molecular weight of 300.11 g/mol, XLogP of 3.07, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(3,4-difluorophenyl)-6-methylpyrimidin-4-amine is sourced from PubChem (CID 66304664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).