4-N-(4-bromo-2-fluorophenyl)-6-N-pyridin-4-ylpyrimidine-4,5,6-triamine

C15H12BrFN6 — CID 22543522

IUPAC4-N-(4-bromo-2-fluorophenyl)-6-N-pyridin-4-ylpyrimidine-4,5,6-triamine
SMILESNc1c(Nc2ccncc2)ncnc1Nc1ccc(Br)cc1F
InChIInChI=1S/C15H12BrFN6/c16-9-1-2-12(11(17)7-9)23-15-13(18)14(20-8-21-15)22-10-3-5-19-6-4-10/h1-8H,18H2,(H2,19,20,21,22,23)
InChIKeyGWCBSDYSURVPHB-UHFFFAOYSA-N
MW375.21 g/mol
LogP3.84
Rot. Bonds4

About 4-N-(4-bromo-2-fluorophenyl)-6-N-pyridin-4-ylpyrimidine-4,5,6-triamine

4-N-(4-bromo-2-fluorophenyl)-6-N-pyridin-4-ylpyrimidine-4,5,6-triamine (PubChem CID 22543522) has the molecular formula C15H12BrFN6 and a molecular weight of 375.21 g/mol. Its IUPAC name is 4-N-(4-bromo-2-fluorophenyl)-6-N-pyridin-4-ylpyrimidine-4,5,6-triamine.

Molecular Properties

Compound Name4-N-(4-bromo-2-fluorophenyl)-6-N-pyridin-4-ylpyrimidine-4,5,6-triamine
PubChem CID22543522
Molecular FormulaC15H12BrFN6
Molecular Weight375.21 g/mol
Exact Mass374.03
IUPAC Name4-N-(4-bromo-2-fluorophenyl)-6-N-pyridin-4-ylpyrimidine-4,5,6-triamine
SMILESNc1c(Nc2ccncc2)ncnc1Nc1ccc(Br)cc1F
InChIInChI=1S/C15H12BrFN6/c16-9-1-2-12(11(17)7-9)23-15-13(18)14(20-8-21-15)22-10-3-5-19-6-4-10/h1-8H,18H2,(H2,19,20,21,22,23)
InChIKeyGWCBSDYSURVPHB-UHFFFAOYSA-N
XLogP3.84
TPSA88.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.21
LogP ≤ 53.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-(4-bromo-2-fluorophenyl)-6-N-(2,4-difluorophenyl)pyrimidine-4,5,6-triamine
CID 19152924
4-N-(4-bromo-2-fluorophenyl)-6-N-(3-chloro-4-fluorophenyl)pyrimidine-4,5,6-triamine
CID 19152905
6-N-(4-bromo-2-fluorophenyl)-4-N-(2,5-difluorophenyl)pyrimidine-4,5,6-triamine
CID 19152923
1-[3-[[5-amino-6-(4-bromo-2-fluoroanilino)pyrimidin-4-yl]amino]phenyl]ethanone
CID 22547511
6-N-(4-bromo-2-fluorophenyl)-4-N,4-N-bis(2-methylpropyl)pyrimidine-4,5,6-triamine
CID 19141027
4-N-(4-bromo-2-fluorophenyl)-6-N-[(4-chlorophenyl)methyl]pyrimidine-4,5,6-triamine
CID 19150562
2-fluoro-1-N-pyridin-4-ylbenzene-1,4-diamine
CID 157044293
6-N-(4-bromo-2-fluorophenyl)-4-N-methyl-4-N-phenylpyrimidine-4,5,6-triamine
CID 19144523
4-N-(4-bromo-2-fluorophenyl)-6-N-(2-methylquinolin-8-yl)pyrimidine-4,5,6-triamine
CID 19144940
4-N-(4-bromophenyl)-6-N-(4-fluorophenyl)pyrimidine-4,5,6-triamine
CID 19148779
2-N-(4-bromo-2-fluorophenyl)-5-methylpyridine-2,3-diamine
CID 66278195
4-N-(4-bromo-2-fluorophenyl)-6-(2,3-dihydroindol-1-yl)pyrimidine-4,5-diamine
CID 22543302

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-bromo-2-fluorophenyl)-6-N-pyridin-4-ylpyrimidine-4,5,6-triamine?
The IUPAC name of 4-N-(4-bromo-2-fluorophenyl)-6-N-pyridin-4-ylpyrimidine-4,5,6-triamine (CID 22543522) is 4-N-(4-bromo-2-fluorophenyl)-6-N-pyridin-4-ylpyrimidine-4,5,6-triamine.
What is the SMILES notation for 4-N-(4-bromo-2-fluorophenyl)-6-N-pyridin-4-ylpyrimidine-4,5,6-triamine?
The canonical SMILES for 4-N-(4-bromo-2-fluorophenyl)-6-N-pyridin-4-ylpyrimidine-4,5,6-triamine is Nc1c(Nc2ccncc2)ncnc1Nc1ccc(Br)cc1F.
What is the InChIKey of 4-N-(4-bromo-2-fluorophenyl)-6-N-pyridin-4-ylpyrimidine-4,5,6-triamine?
The InChIKey is GWCBSDYSURVPHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrFN6/c16-9-1-2-12(11(17)7-9)23-15-13(18)14(20-8-21-15)22-10-3-5-19-6-4-10/h1-8H,18H2,(H2,19,20,21,22,23).
What are the key properties of 4-N-(4-bromo-2-fluorophenyl)-6-N-pyridin-4-ylpyrimidine-4,5,6-triamine?
4-N-(4-bromo-2-fluorophenyl)-6-N-pyridin-4-ylpyrimidine-4,5,6-triamine has a molecular weight of 375.21 g/mol, XLogP of 3.84, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-bromo-2-fluorophenyl)-6-N-pyridin-4-ylpyrimidine-4,5,6-triamine is sourced from PubChem (CID 22543522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).