5-bromo-2-chloro-N-[2-(3,5-difluorophenyl)ethyl]pyrimidin-4-amine

C12H9BrClF2N3 — CID 79073377

IUPAC5-bromo-2-chloro-N-[2-(3,5-difluorophenyl)ethyl]pyrimidin-4-amine
SMILESFc1cc(F)cc(CCNc2nc(Cl)ncc2Br)c1
InChIInChI=1S/C12H9BrClF2N3/c13-10-6-18-12(14)19-11(10)17-2-1-7-3-8(15)5-9(16)4-7/h3-6H,1-2H2,(H,17,18,19)
InChIKeyOYRPEPHFXKWLGL-UHFFFAOYSA-N
MW348.58 g/mol
LogP3.83
Rot. Bonds4

About 5-bromo-2-chloro-N-[2-(3,5-difluorophenyl)ethyl]pyrimidin-4-amine

5-bromo-2-chloro-N-[2-(3,5-difluorophenyl)ethyl]pyrimidin-4-amine (PubChem CID 79073377) has the molecular formula C12H9BrClF2N3 and a molecular weight of 348.58 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-[2-(3,5-difluorophenyl)ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-chloro-N-[2-(3,5-difluorophenyl)ethyl]pyrimidin-4-amine
PubChem CID79073377
Molecular FormulaC12H9BrClF2N3
Molecular Weight348.58 g/mol
Exact Mass346.96
IUPAC Name5-bromo-2-chloro-N-[2-(3,5-difluorophenyl)ethyl]pyrimidin-4-amine
SMILESFc1cc(F)cc(CCNc2nc(Cl)ncc2Br)c1
InChIInChI=1S/C12H9BrClF2N3/c13-10-6-18-12(14)19-11(10)17-2-1-7-3-8(15)5-9(16)4-7/h3-6H,1-2H2,(H,17,18,19)
InChIKeyOYRPEPHFXKWLGL-UHFFFAOYSA-N
XLogP3.83
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.58
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-[2-(3,5-difluorophenyl)ethyl]-2-hydrazinylpyrimidin-4-amine
CID 80918985
5-bromo-4-N-[2-(3,5-difluorophenyl)ethyl]-2-N-ethylpyrimidine-2,4-diamine
CID 80803729
4-[2-[(5-bromo-2-chloropyrimidin-4-yl)amino]ethyl]phenol
CID 79076702
5-bromo-3-chloro-N-[2-(3,5-difluorophenyl)ethyl]pyridin-2-amine
CID 103582503
3,5-dibromo-N-[2-(3,5-difluorophenyl)ethyl]pyridin-2-amine
CID 113413696
5-bromo-2-chloro-N-(3,5-difluorophenyl)pyrimidin-4-amine
CID 79076577
5-bromo-2-chloro-N-propylpyrimidin-4-amine
CID 53485997
4-[2-[(5-bromo-2-chloropyrimidin-4-yl)amino]ethyl]benzenesulfonamide
CID 106194577
5-bromo-2-chloro-N-(3,3,3-trifluoropropyl)pyrimidin-4-amine
CID 79073107
N-[2-(4-bromophenyl)ethyl]-2-chloro-5-fluoropyrimidin-4-amine
CID 87926310
3-chloro-N-[2-(3,5-difluorophenyl)ethyl]pyrazin-2-amine
CID 62615088
5-bromo-N-[2-(3,5-difluorophenyl)ethyl]-3-methylpyridin-2-amine
CID 79719091

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-[2-(3,5-difluorophenyl)ethyl]pyrimidin-4-amine?
The IUPAC name of 5-bromo-2-chloro-N-[2-(3,5-difluorophenyl)ethyl]pyrimidin-4-amine (CID 79073377) is 5-bromo-2-chloro-N-[2-(3,5-difluorophenyl)ethyl]pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-chloro-N-[2-(3,5-difluorophenyl)ethyl]pyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-chloro-N-[2-(3,5-difluorophenyl)ethyl]pyrimidin-4-amine is Fc1cc(F)cc(CCNc2nc(Cl)ncc2Br)c1.
What is the InChIKey of 5-bromo-2-chloro-N-[2-(3,5-difluorophenyl)ethyl]pyrimidin-4-amine?
The InChIKey is OYRPEPHFXKWLGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrClF2N3/c13-10-6-18-12(14)19-11(10)17-2-1-7-3-8(15)5-9(16)4-7/h3-6H,1-2H2,(H,17,18,19).
What are the key properties of 5-bromo-2-chloro-N-[2-(3,5-difluorophenyl)ethyl]pyrimidin-4-amine?
5-bromo-2-chloro-N-[2-(3,5-difluorophenyl)ethyl]pyrimidin-4-amine has a molecular weight of 348.58 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-N-[2-(3,5-difluorophenyl)ethyl]pyrimidin-4-amine is sourced from PubChem (CID 79073377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).