4-[2-(3-bromo-4-fluorophenyl)-7-[(dimethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine

C20H18BrFN6 — CID 24745379

IUPAC4-[2-(3-bromo-4-fluorophenyl)-7-[(dimethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine
SMILESCN(C)Cc1ccn2c(-c3ccnc(N)n3)c(-c3ccc(F)c(Br)c3)nc2c1
InChIInChI=1S/C20H18BrFN6/c1-27(2)11-12-6-8-28-17(9-12)26-18(13-3-4-15(22)14(21)10-13)19(28)16-5-7-24-20(23)25-16/h3-10H,11H2,1-2H3,(H2,23,24,25)
InChIKeyBKJWKUMTUMMVEZ-UHFFFAOYSA-N
MW441.31 g/mol
LogP4.00
Rot. Bonds4

About 4-[2-(3-bromo-4-fluorophenyl)-7-[(dimethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine

4-[2-(3-bromo-4-fluorophenyl)-7-[(dimethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine (PubChem CID 24745379) has the molecular formula C20H18BrFN6 and a molecular weight of 441.31 g/mol. Its IUPAC name is 4-[2-(3-bromo-4-fluorophenyl)-7-[(dimethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[2-(3-bromo-4-fluorophenyl)-7-[(dimethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine
PubChem CID24745379
Molecular FormulaC20H18BrFN6
Molecular Weight441.31 g/mol
Exact Mass440.08
IUPAC Name4-[2-(3-bromo-4-fluorophenyl)-7-[(dimethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine
SMILESCN(C)Cc1ccn2c(-c3ccnc(N)n3)c(-c3ccc(F)c(Br)c3)nc2c1
InChIInChI=1S/C20H18BrFN6/c1-27(2)11-12-6-8-28-17(9-12)26-18(13-3-4-15(22)14(21)10-13)19(28)16-5-7-24-20(23)25-16/h3-10H,11H2,1-2H3,(H2,23,24,25)
InChIKeyBKJWKUMTUMMVEZ-UHFFFAOYSA-N
XLogP4.00
TPSA72.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.31
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-bromo-4-fluorophenyl)-7-[(dimethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine?
The IUPAC name of 4-[2-(3-bromo-4-fluorophenyl)-7-[(dimethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine (CID 24745379) is 4-[2-(3-bromo-4-fluorophenyl)-7-[(dimethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-[2-(3-bromo-4-fluorophenyl)-7-[(dimethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine?
The canonical SMILES for 4-[2-(3-bromo-4-fluorophenyl)-7-[(dimethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine is CN(C)Cc1ccn2c(-c3ccnc(N)n3)c(-c3ccc(F)c(Br)c3)nc2c1.
What is the InChIKey of 4-[2-(3-bromo-4-fluorophenyl)-7-[(dimethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine?
The InChIKey is BKJWKUMTUMMVEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18BrFN6/c1-27(2)11-12-6-8-28-17(9-12)26-18(13-3-4-15(22)14(21)10-13)19(28)16-5-7-24-20(23)25-16/h3-10H,11H2,1-2H3,(H2,23,24,25).
What are the key properties of 4-[2-(3-bromo-4-fluorophenyl)-7-[(dimethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine?
4-[2-(3-bromo-4-fluorophenyl)-7-[(dimethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine has a molecular weight of 441.31 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-bromo-4-fluorophenyl)-7-[(dimethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine is sourced from PubChem (CID 24745379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).