5-bromo-4-N-[2-(3,5-difluorophenyl)ethyl]-2-N-ethylpyrimidine-2,4-diamine

C14H15BrF2N4 — CID 80803729

IUPAC5-bromo-4-N-[2-(3,5-difluorophenyl)ethyl]-2-N-ethylpyrimidine-2,4-diamine
SMILESCCNc1ncc(Br)c(NCCc2cc(F)cc(F)c2)n1
InChIInChI=1S/C14H15BrF2N4/c1-2-18-14-20-8-12(15)13(21-14)19-4-3-9-5-10(16)7-11(17)6-9/h5-8H,2-4H2,1H3,(H2,18,19,20,21)
InChIKeyAENVFXWHMKAHGU-UHFFFAOYSA-N
MW357.20 g/mol
LogP3.60
Rot. Bonds6

About 5-bromo-4-N-[2-(3,5-difluorophenyl)ethyl]-2-N-ethylpyrimidine-2,4-diamine

5-bromo-4-N-[2-(3,5-difluorophenyl)ethyl]-2-N-ethylpyrimidine-2,4-diamine (PubChem CID 80803729) has the molecular formula C14H15BrF2N4 and a molecular weight of 357.20 g/mol. Its IUPAC name is 5-bromo-4-N-[2-(3,5-difluorophenyl)ethyl]-2-N-ethylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-bromo-4-N-[2-(3,5-difluorophenyl)ethyl]-2-N-ethylpyrimidine-2,4-diamine
PubChem CID80803729
Molecular FormulaC14H15BrF2N4
Molecular Weight357.20 g/mol
Exact Mass356.04
IUPAC Name5-bromo-4-N-[2-(3,5-difluorophenyl)ethyl]-2-N-ethylpyrimidine-2,4-diamine
SMILESCCNc1ncc(Br)c(NCCc2cc(F)cc(F)c2)n1
InChIInChI=1S/C14H15BrF2N4/c1-2-18-14-20-8-12(15)13(21-14)19-4-3-9-5-10(16)7-11(17)6-9/h5-8H,2-4H2,1H3,(H2,18,19,20,21)
InChIKeyAENVFXWHMKAHGU-UHFFFAOYSA-N
XLogP3.60
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.20
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-[2-(3,5-difluorophenyl)ethyl]-2-hydrazinylpyrimidin-4-amine
CID 80918985
5-bromo-2-chloro-N-[2-(3,5-difluorophenyl)ethyl]pyrimidin-4-amine
CID 79073377
5-bromo-2-N-ethyl-4-N-[2-(3-methylphenyl)ethyl]pyrimidine-2,4-diamine
CID 80826619
N-[2-(3,5-difluorophenyl)ethyl]-5-fluoro-2-hydrazinylpyrimidin-4-amine
CID 80919063
5-chloro-2-N-ethyl-4-N-[2-(3-fluorophenyl)ethyl]pyrimidine-2,4-diamine
CID 80788298
5-bromo-2-N-ethyl-4-N-(5-fluoro-2-methylphenyl)pyrimidine-2,4-diamine
CID 80762209
3,5-dibromo-N-[2-(3,5-difluorophenyl)ethyl]pyridin-2-amine
CID 113413696
5-bromo-2-N-ethyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine
CID 80776985
5-bromo-4-N-(3-ethoxypropyl)-2-N-ethylpyrimidine-2,4-diamine
CID 80773193
5-bromo-2-N-ethyl-4-N-(4-methoxybutyl)pyrimidine-2,4-diamine
CID 80813928
5-bromo-2-N-ethyl-4-N-(2,2,3,3-tetrafluoropropyl)pyrimidine-2,4-diamine
CID 114169916
5-bromo-2-N-ethyl-4-N-[(4-ethylphenyl)methyl]pyrimidine-2,4-diamine
CID 106901022

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-N-[2-(3,5-difluorophenyl)ethyl]-2-N-ethylpyrimidine-2,4-diamine?
The IUPAC name of 5-bromo-4-N-[2-(3,5-difluorophenyl)ethyl]-2-N-ethylpyrimidine-2,4-diamine (CID 80803729) is 5-bromo-4-N-[2-(3,5-difluorophenyl)ethyl]-2-N-ethylpyrimidine-2,4-diamine.
What is the SMILES notation for 5-bromo-4-N-[2-(3,5-difluorophenyl)ethyl]-2-N-ethylpyrimidine-2,4-diamine?
The canonical SMILES for 5-bromo-4-N-[2-(3,5-difluorophenyl)ethyl]-2-N-ethylpyrimidine-2,4-diamine is CCNc1ncc(Br)c(NCCc2cc(F)cc(F)c2)n1.
What is the InChIKey of 5-bromo-4-N-[2-(3,5-difluorophenyl)ethyl]-2-N-ethylpyrimidine-2,4-diamine?
The InChIKey is AENVFXWHMKAHGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrF2N4/c1-2-18-14-20-8-12(15)13(21-14)19-4-3-9-5-10(16)7-11(17)6-9/h5-8H,2-4H2,1H3,(H2,18,19,20,21).
What are the key properties of 5-bromo-4-N-[2-(3,5-difluorophenyl)ethyl]-2-N-ethylpyrimidine-2,4-diamine?
5-bromo-4-N-[2-(3,5-difluorophenyl)ethyl]-2-N-ethylpyrimidine-2,4-diamine has a molecular weight of 357.20 g/mol, XLogP of 3.60, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-N-[2-(3,5-difluorophenyl)ethyl]-2-N-ethylpyrimidine-2,4-diamine is sourced from PubChem (CID 80803729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).