4-N-(4-bromo-2-fluorophenyl)-6-(2,3-dihydroindol-1-yl)pyrimidine-4,5-diamine

C18H15BrFN5 — CID 22543302

IUPAC4-N-(4-bromo-2-fluorophenyl)-6-(2,3-dihydroindol-1-yl)pyrimidine-4,5-diamine
SMILESNc1c(Nc2ccc(Br)cc2F)ncnc1N1CCc2ccccc21
InChIInChI=1S/C18H15BrFN5/c19-12-5-6-14(13(20)9-12)24-17-16(21)18(23-10-22-17)25-8-7-11-3-1-2-4-15(11)25/h1-6,9-10H,7-8,21H2,(H,22,23,24)
InChIKeyZABJPCYRECNZAH-UHFFFAOYSA-N
MW400.26 g/mol
LogP4.40
Rot. Bonds3

About 4-N-(4-bromo-2-fluorophenyl)-6-(2,3-dihydroindol-1-yl)pyrimidine-4,5-diamine

4-N-(4-bromo-2-fluorophenyl)-6-(2,3-dihydroindol-1-yl)pyrimidine-4,5-diamine (PubChem CID 22543302) has the molecular formula C18H15BrFN5 and a molecular weight of 400.26 g/mol. Its IUPAC name is 4-N-(4-bromo-2-fluorophenyl)-6-(2,3-dihydroindol-1-yl)pyrimidine-4,5-diamine.

Molecular Properties

Compound Name4-N-(4-bromo-2-fluorophenyl)-6-(2,3-dihydroindol-1-yl)pyrimidine-4,5-diamine
PubChem CID22543302
Molecular FormulaC18H15BrFN5
Molecular Weight400.26 g/mol
Exact Mass399.05
IUPAC Name4-N-(4-bromo-2-fluorophenyl)-6-(2,3-dihydroindol-1-yl)pyrimidine-4,5-diamine
SMILESNc1c(Nc2ccc(Br)cc2F)ncnc1N1CCc2ccccc21
InChIInChI=1S/C18H15BrFN5/c19-12-5-6-14(13(20)9-12)24-17-16(21)18(23-10-22-17)25-8-7-11-3-1-2-4-15(11)25/h1-6,9-10H,7-8,21H2,(H,22,23,24)
InChIKeyZABJPCYRECNZAH-UHFFFAOYSA-N
XLogP4.40
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.26
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(2,3-dihydroindol-1-yl)-4-N-phenylpyrimidine-4,5-diamine
CID 22543241
6-(2,3-dihydroindol-1-yl)-4-N-(2,4-dimethoxyphenyl)pyrimidine-4,5-diamine
CID 22543205
6-(2,3-dihydroindol-1-yl)-4-N-(2-methoxyphenyl)pyrimidine-4,5-diamine
CID 22543245
4-N-(3,4-dichlorophenyl)-6-(2,3-dihydroindol-1-yl)pyrimidine-4,5-diamine
CID 22543153
4-N-(4-bromo-2-fluorophenyl)-6-N-(2,4-difluorophenyl)pyrimidine-4,5,6-triamine
CID 19152924
6-(3,4-dihydro-2H-quinolin-1-yl)-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,5-diamine
CID 22545603
4-(2,3-dihydroindol-1-yl)-6-(2,2-diphenylhydrazinyl)pyrimidin-5-amine
CID 22543232
6-(2,3-dihydroindol-1-yl)-4-N-pyridin-3-ylpyrimidine-4,5-diamine
CID 22543223
6-N-(4-bromo-2-fluorophenyl)-4-N-(2,5-difluorophenyl)pyrimidine-4,5,6-triamine
CID 19152923
4-(4-bromophenoxy)-6-(2,3-dihydroindol-1-yl)pyrimidin-5-amine
CID 22543348
4-N-(4-bromo-2-fluorophenyl)-6-N-pyridin-4-ylpyrimidine-4,5,6-triamine
CID 22543522
6-N-(4-bromo-2-fluorophenyl)-4-N-methyl-4-N-phenylpyrimidine-4,5,6-triamine
CID 19144523

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-bromo-2-fluorophenyl)-6-(2,3-dihydroindol-1-yl)pyrimidine-4,5-diamine?
The IUPAC name of 4-N-(4-bromo-2-fluorophenyl)-6-(2,3-dihydroindol-1-yl)pyrimidine-4,5-diamine (CID 22543302) is 4-N-(4-bromo-2-fluorophenyl)-6-(2,3-dihydroindol-1-yl)pyrimidine-4,5-diamine.
What is the SMILES notation for 4-N-(4-bromo-2-fluorophenyl)-6-(2,3-dihydroindol-1-yl)pyrimidine-4,5-diamine?
The canonical SMILES for 4-N-(4-bromo-2-fluorophenyl)-6-(2,3-dihydroindol-1-yl)pyrimidine-4,5-diamine is Nc1c(Nc2ccc(Br)cc2F)ncnc1N1CCc2ccccc21.
What is the InChIKey of 4-N-(4-bromo-2-fluorophenyl)-6-(2,3-dihydroindol-1-yl)pyrimidine-4,5-diamine?
The InChIKey is ZABJPCYRECNZAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrFN5/c19-12-5-6-14(13(20)9-12)24-17-16(21)18(23-10-22-17)25-8-7-11-3-1-2-4-15(11)25/h1-6,9-10H,7-8,21H2,(H,22,23,24).
What are the key properties of 4-N-(4-bromo-2-fluorophenyl)-6-(2,3-dihydroindol-1-yl)pyrimidine-4,5-diamine?
4-N-(4-bromo-2-fluorophenyl)-6-(2,3-dihydroindol-1-yl)pyrimidine-4,5-diamine has a molecular weight of 400.26 g/mol, XLogP of 4.40, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-bromo-2-fluorophenyl)-6-(2,3-dihydroindol-1-yl)pyrimidine-4,5-diamine is sourced from PubChem (CID 22543302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).