N-(4-bromophenyl)-9-propan-2-yl-2-pyridin-3-ylpurin-6-amine

C19H17BrN6 — CID 25053058

IUPACN-(4-bromophenyl)-9-propan-2-yl-2-pyridin-3-ylpurin-6-amine
SMILESCC(C)n1cnc2c(Nc3ccc(Br)cc3)nc(-c3cccnc3)nc21
InChIInChI=1S/C19H17BrN6/c1-12(2)26-11-22-16-18(23-15-7-5-14(20)6-8-15)24-17(25-19(16)26)13-4-3-9-21-10-13/h3-12H,1-2H3,(H,23,24,25)
InChIKeyKQOZMABNRXFRDT-UHFFFAOYSA-N
MW409.29 g/mol
LogP4.98
Rot. Bonds4

About N-(4-bromophenyl)-9-propan-2-yl-2-pyridin-3-ylpurin-6-amine

N-(4-bromophenyl)-9-propan-2-yl-2-pyridin-3-ylpurin-6-amine (PubChem CID 25053058) has the molecular formula C19H17BrN6 and a molecular weight of 409.29 g/mol. Its IUPAC name is N-(4-bromophenyl)-9-propan-2-yl-2-pyridin-3-ylpurin-6-amine.

Molecular Properties

Compound NameN-(4-bromophenyl)-9-propan-2-yl-2-pyridin-3-ylpurin-6-amine
PubChem CID25053058
Molecular FormulaC19H17BrN6
Molecular Weight409.29 g/mol
Exact Mass408.07
IUPAC NameN-(4-bromophenyl)-9-propan-2-yl-2-pyridin-3-ylpurin-6-amine
SMILESCC(C)n1cnc2c(Nc3ccc(Br)cc3)nc(-c3cccnc3)nc21
InChIInChI=1S/C19H17BrN6/c1-12(2)26-11-22-16-18(23-15-7-5-14(20)6-8-15)24-17(25-19(16)26)13-4-3-9-21-10-13/h3-12H,1-2H3,(H,23,24,25)
InChIKeyKQOZMABNRXFRDT-UHFFFAOYSA-N
XLogP4.98
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.29
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[2-[(9-propan-2-yl-2-pyridin-3-ylpurin-6-yl)amino]ethyl]phenyl]methanesulfonamide
CID 59408944
9-propan-2-yl-2-pyridin-3-yl-N-[(5-pyridin-4-yl-2-pyridinyl)methyl]purin-6-amine
CID 168994694
9-propan-2-yl-N-[3-(1H-pyrazol-4-yl)propyl]-2-pyridin-3-ylpurin-6-amine
CID 59408930
1-[2-[(9-propan-2-yl-2-pyridin-3-ylpurin-6-yl)amino]ethyl]imidazolidin-2-one
CID 59408939
4-[2-[(9-propan-2-yl-2-pyridin-3-ylpurin-6-yl)amino]ethyl]benzenesulfonamide
CID 67359486
(2S)-3-(4-hydroxyphenyl)-2-[(9-propan-2-yl-2-pyridin-3-ylpurin-6-yl)amino]butanoic acid
CID 67360343
2-methyl-4-[2-[(9-propan-2-yl-2-pyridin-3-ylpurin-6-yl)amino]ethyl]phenol
CID 59408945
2-(2-aminopyrimidin-5-yl)-9-propan-2-yl-N-[(6-pyridin-3-yl-3-pyridinyl)methyl]purin-6-amine
CID 168994712
N-[2-(5-iodo-1H-indol-3-yl)ethyl]-9-propan-2-yl-2-pyridin-3-ylpurin-6-amine
CID 70875118
1-[1-hydroxyethyl-[6-(4-phenylanilino)-9-propan-2-ylpurin-2-yl]amino]ethanol
CID 54227456
1-[3-[9-propan-2-yl-6-(pyridin-3-ylmethylamino)purin-2-yl]phenyl]ethanone
CID 117084022
2-chloro-9-propan-2-yl-N-(3-pyrimidin-2-ylphenyl)purin-6-amine
CID 71745026

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-9-propan-2-yl-2-pyridin-3-ylpurin-6-amine?
The IUPAC name of N-(4-bromophenyl)-9-propan-2-yl-2-pyridin-3-ylpurin-6-amine (CID 25053058) is N-(4-bromophenyl)-9-propan-2-yl-2-pyridin-3-ylpurin-6-amine.
What is the SMILES notation for N-(4-bromophenyl)-9-propan-2-yl-2-pyridin-3-ylpurin-6-amine?
The canonical SMILES for N-(4-bromophenyl)-9-propan-2-yl-2-pyridin-3-ylpurin-6-amine is CC(C)n1cnc2c(Nc3ccc(Br)cc3)nc(-c3cccnc3)nc21.
What is the InChIKey of N-(4-bromophenyl)-9-propan-2-yl-2-pyridin-3-ylpurin-6-amine?
The InChIKey is KQOZMABNRXFRDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrN6/c1-12(2)26-11-22-16-18(23-15-7-5-14(20)6-8-15)24-17(25-19(16)26)13-4-3-9-21-10-13/h3-12H,1-2H3,(H,23,24,25).
What are the key properties of N-(4-bromophenyl)-9-propan-2-yl-2-pyridin-3-ylpurin-6-amine?
N-(4-bromophenyl)-9-propan-2-yl-2-pyridin-3-ylpurin-6-amine has a molecular weight of 409.29 g/mol, XLogP of 4.98, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-9-propan-2-yl-2-pyridin-3-ylpurin-6-amine is sourced from PubChem (CID 25053058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).