4-(4-bromophenoxy)-6-(2,3-dihydroindol-1-yl)pyrimidin-5-amine

C18H15BrN4O — CID 22543348

IUPAC4-(4-bromophenoxy)-6-(2,3-dihydroindol-1-yl)pyrimidin-5-amine
SMILESNc1c(Oc2ccc(Br)cc2)ncnc1N1CCc2ccccc21
InChIInChI=1S/C18H15BrN4O/c19-13-5-7-14(8-6-13)24-18-16(20)17(21-11-22-18)23-10-9-12-3-1-2-4-15(12)23/h1-8,11H,9-10,20H2
InChIKeyGYJJVHVYXSKRGY-UHFFFAOYSA-N
MW383.25 g/mol
LogP4.31
Rot. Bonds3

About 4-(4-bromophenoxy)-6-(2,3-dihydroindol-1-yl)pyrimidin-5-amine

4-(4-bromophenoxy)-6-(2,3-dihydroindol-1-yl)pyrimidin-5-amine (PubChem CID 22543348) has the molecular formula C18H15BrN4O and a molecular weight of 383.25 g/mol. Its IUPAC name is 4-(4-bromophenoxy)-6-(2,3-dihydroindol-1-yl)pyrimidin-5-amine.

Molecular Properties

Compound Name4-(4-bromophenoxy)-6-(2,3-dihydroindol-1-yl)pyrimidin-5-amine
PubChem CID22543348
Molecular FormulaC18H15BrN4O
Molecular Weight383.25 g/mol
Exact Mass382.04
IUPAC Name4-(4-bromophenoxy)-6-(2,3-dihydroindol-1-yl)pyrimidin-5-amine
SMILESNc1c(Oc2ccc(Br)cc2)ncnc1N1CCc2ccccc21
InChIInChI=1S/C18H15BrN4O/c19-13-5-7-14(8-6-13)24-18-16(20)17(21-11-22-18)23-10-9-12-3-1-2-4-15(12)23/h1-8,11H,9-10,20H2
InChIKeyGYJJVHVYXSKRGY-UHFFFAOYSA-N
XLogP4.31
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.25
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2,3-dihydroindol-1-yl)-6-(3,4-dimethylphenoxy)pyrimidin-5-amine
CID 22543342
4-(4-chloro-3,5-dimethylphenoxy)-6-(2,3-dihydroindol-1-yl)pyrimidin-5-amine
CID 22543307
4-(3,4-dihydro-2H-quinolin-1-yl)-6-(4-propan-2-ylphenoxy)pyrimidin-5-amine
CID 19138753
4-(4-bromophenoxy)-6-piperidin-1-ylpyrimidin-5-amine
CID 19137603
4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-phenoxypyrimidin-5-amine
CID 19147484
2-[4-[5-amino-6-(4-bromophenoxy)pyrimidin-4-yl]piperazin-1-yl]ethanol
CID 19140744
4-(benzotriazol-1-yl)-6-(4-bromophenoxy)pyrimidin-5-amine
CID 19154403
4-N-(4-bromo-2-fluorophenyl)-6-(2,3-dihydroindol-1-yl)pyrimidine-4,5-diamine
CID 22543302
6-(2,3-dihydroindol-1-yl)-4-N-phenylpyrimidine-4,5-diamine
CID 22543241
4-(2,3-dihydroindol-1-yl)-6-(4-methylpiperidin-1-yl)pyrimidin-5-amine
CID 22543189
1-[6-(4-chloro-3,5-dimethylphenoxy)-5-nitropyrimidin-4-yl]-2,3-dihydroindole
CID 23481841
6-(2,3-dihydroindol-1-yl)-4-N-(2,4-dimethoxyphenyl)pyrimidine-4,5-diamine
CID 22543205

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenoxy)-6-(2,3-dihydroindol-1-yl)pyrimidin-5-amine?
The IUPAC name of 4-(4-bromophenoxy)-6-(2,3-dihydroindol-1-yl)pyrimidin-5-amine (CID 22543348) is 4-(4-bromophenoxy)-6-(2,3-dihydroindol-1-yl)pyrimidin-5-amine.
What is the SMILES notation for 4-(4-bromophenoxy)-6-(2,3-dihydroindol-1-yl)pyrimidin-5-amine?
The canonical SMILES for 4-(4-bromophenoxy)-6-(2,3-dihydroindol-1-yl)pyrimidin-5-amine is Nc1c(Oc2ccc(Br)cc2)ncnc1N1CCc2ccccc21.
What is the InChIKey of 4-(4-bromophenoxy)-6-(2,3-dihydroindol-1-yl)pyrimidin-5-amine?
The InChIKey is GYJJVHVYXSKRGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrN4O/c19-13-5-7-14(8-6-13)24-18-16(20)17(21-11-22-18)23-10-9-12-3-1-2-4-15(12)23/h1-8,11H,9-10,20H2.
What are the key properties of 4-(4-bromophenoxy)-6-(2,3-dihydroindol-1-yl)pyrimidin-5-amine?
4-(4-bromophenoxy)-6-(2,3-dihydroindol-1-yl)pyrimidin-5-amine has a molecular weight of 383.25 g/mol, XLogP of 4.31, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenoxy)-6-(2,3-dihydroindol-1-yl)pyrimidin-5-amine is sourced from PubChem (CID 22543348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).