N-[(2-aminopyrimidin-5-yl)methyl]-3-bromo-6-(2-chlorophenyl)imidazo[1,2-a]pyridin-8-amine

C18H14BrClN6 — CID 10320456

IUPACN-[(2-aminopyrimidin-5-yl)methyl]-3-bromo-6-(2-chlorophenyl)imidazo[1,2-a]pyridin-8-amine
SMILESNc1ncc(CNc2cc(-c3ccccc3Cl)cn3c(Br)cnc23)cn1
InChIInChI=1S/C18H14BrClN6/c19-16-9-23-17-15(22-6-11-7-24-18(21)25-8-11)5-12(10-26(16)17)13-3-1-2-4-14(13)20/h1-5,7-10,22H,6H2,(H2,21,24,25)
InChIKeyKNWLQDLQPQQOSM-UHFFFAOYSA-N
MW429.71 g/mol
LogP4.40
Rot. Bonds4

About N-[(2-aminopyrimidin-5-yl)methyl]-3-bromo-6-(2-chlorophenyl)imidazo[1,2-a]pyridin-8-amine

N-[(2-aminopyrimidin-5-yl)methyl]-3-bromo-6-(2-chlorophenyl)imidazo[1,2-a]pyridin-8-amine (PubChem CID 10320456) has the molecular formula C18H14BrClN6 and a molecular weight of 429.71 g/mol. Its IUPAC name is N-[(2-aminopyrimidin-5-yl)methyl]-3-bromo-6-(2-chlorophenyl)imidazo[1,2-a]pyridin-8-amine.

Molecular Properties

Compound NameN-[(2-aminopyrimidin-5-yl)methyl]-3-bromo-6-(2-chlorophenyl)imidazo[1,2-a]pyridin-8-amine
PubChem CID10320456
Molecular FormulaC18H14BrClN6
Molecular Weight429.71 g/mol
Exact Mass428.02
IUPAC NameN-[(2-aminopyrimidin-5-yl)methyl]-3-bromo-6-(2-chlorophenyl)imidazo[1,2-a]pyridin-8-amine
SMILESNc1ncc(CNc2cc(-c3ccccc3Cl)cn3c(Br)cnc23)cn1
InChIInChI=1S/C18H14BrClN6/c19-16-9-23-17-15(22-6-11-7-24-18(21)25-8-11)5-12(10-26(16)17)13-3-1-2-4-14(13)20/h1-5,7-10,22H,6H2,(H2,21,24,25)
InChIKeyKNWLQDLQPQQOSM-UHFFFAOYSA-N
XLogP4.40
TPSA81.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.71
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2-aminopyrimidin-5-yl)methyl]-3-bromo-6-(2-chlorophenyl)imidazo[1,2-a]pyridin-8-amine?
The IUPAC name of N-[(2-aminopyrimidin-5-yl)methyl]-3-bromo-6-(2-chlorophenyl)imidazo[1,2-a]pyridin-8-amine (CID 10320456) is N-[(2-aminopyrimidin-5-yl)methyl]-3-bromo-6-(2-chlorophenyl)imidazo[1,2-a]pyridin-8-amine.
What is the SMILES notation for N-[(2-aminopyrimidin-5-yl)methyl]-3-bromo-6-(2-chlorophenyl)imidazo[1,2-a]pyridin-8-amine?
The canonical SMILES for N-[(2-aminopyrimidin-5-yl)methyl]-3-bromo-6-(2-chlorophenyl)imidazo[1,2-a]pyridin-8-amine is Nc1ncc(CNc2cc(-c3ccccc3Cl)cn3c(Br)cnc23)cn1.
What is the InChIKey of N-[(2-aminopyrimidin-5-yl)methyl]-3-bromo-6-(2-chlorophenyl)imidazo[1,2-a]pyridin-8-amine?
The InChIKey is KNWLQDLQPQQOSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14BrClN6/c19-16-9-23-17-15(22-6-11-7-24-18(21)25-8-11)5-12(10-26(16)17)13-3-1-2-4-14(13)20/h1-5,7-10,22H,6H2,(H2,21,24,25).
What are the key properties of N-[(2-aminopyrimidin-5-yl)methyl]-3-bromo-6-(2-chlorophenyl)imidazo[1,2-a]pyridin-8-amine?
N-[(2-aminopyrimidin-5-yl)methyl]-3-bromo-6-(2-chlorophenyl)imidazo[1,2-a]pyridin-8-amine has a molecular weight of 429.71 g/mol, XLogP of 4.40, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-aminopyrimidin-5-yl)methyl]-3-bromo-6-(2-chlorophenyl)imidazo[1,2-a]pyridin-8-amine is sourced from PubChem (CID 10320456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).