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

C19H17BrN6 — CID 25053059

IUPACN-(4-bromophenyl)-9-propan-2-yl-2-pyridin-4-ylpurin-6-amine
SMILESCC(C)n1cnc2c(Nc3ccc(Br)cc3)nc(-c3ccncc3)nc21
InChIInChI=1S/C19H17BrN6/c1-12(2)26-11-22-16-18(23-15-5-3-14(20)4-6-15)24-17(25-19(16)26)13-7-9-21-10-8-13/h3-12H,1-2H3,(H,23,24,25)
InChIKeyMGVOPCAEDYNOEQ-UHFFFAOYSA-N
MW409.29 g/mol
LogP4.98
Rot. Bonds4

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

N-(4-bromophenyl)-9-propan-2-yl-2-pyridin-4-ylpurin-6-amine (PubChem CID 25053059) 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-4-ylpurin-6-amine.

Molecular Properties

Compound NameN-(4-bromophenyl)-9-propan-2-yl-2-pyridin-4-ylpurin-6-amine
PubChem CID25053059
Molecular FormulaC19H17BrN6
Molecular Weight409.29 g/mol
Exact Mass408.07
IUPAC NameN-(4-bromophenyl)-9-propan-2-yl-2-pyridin-4-ylpurin-6-amine
SMILESCC(C)n1cnc2c(Nc3ccc(Br)cc3)nc(-c3ccncc3)nc21
InChIInChI=1S/C19H17BrN6/c1-12(2)26-11-22-16-18(23-15-5-3-14(20)4-6-15)24-17(25-19(16)26)13-7-9-21-10-8-13/h3-12H,1-2H3,(H,23,24,25)
InChIKeyMGVOPCAEDYNOEQ-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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Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-9-propan-2-yl-2-pyridin-4-ylpurin-6-amine?
The IUPAC name of N-(4-bromophenyl)-9-propan-2-yl-2-pyridin-4-ylpurin-6-amine (CID 25053059) is N-(4-bromophenyl)-9-propan-2-yl-2-pyridin-4-ylpurin-6-amine.
What is the SMILES notation for N-(4-bromophenyl)-9-propan-2-yl-2-pyridin-4-ylpurin-6-amine?
The canonical SMILES for N-(4-bromophenyl)-9-propan-2-yl-2-pyridin-4-ylpurin-6-amine is CC(C)n1cnc2c(Nc3ccc(Br)cc3)nc(-c3ccncc3)nc21.
What is the InChIKey of N-(4-bromophenyl)-9-propan-2-yl-2-pyridin-4-ylpurin-6-amine?
The InChIKey is MGVOPCAEDYNOEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrN6/c1-12(2)26-11-22-16-18(23-15-5-3-14(20)4-6-15)24-17(25-19(16)26)13-7-9-21-10-8-13/h3-12H,1-2H3,(H,23,24,25).
What are the key properties of N-(4-bromophenyl)-9-propan-2-yl-2-pyridin-4-ylpurin-6-amine?
N-(4-bromophenyl)-9-propan-2-yl-2-pyridin-4-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-4-ylpurin-6-amine is sourced from PubChem (CID 25053059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).