4-amino-6-[[3-chloro-6-(3-chlorophenyl)imidazo[1,2-b]pyridazin-7-yl]methylamino]pyrimidine-5-carbonitrile

C18H12Cl2N8 — CID 130400172

IUPAC4-amino-6-[[3-chloro-6-(3-chlorophenyl)imidazo[1,2-b]pyridazin-7-yl]methylamino]pyrimidine-5-carbonitrile
SMILESN#Cc1c(N)ncnc1NCc1cc2ncc(Cl)n2nc1-c1cccc(Cl)c1
InChIInChI=1S/C18H12Cl2N8/c19-12-3-1-2-10(4-12)16-11(5-15-23-8-14(20)28(15)27-16)7-24-18-13(6-21)17(22)25-9-26-18/h1-5,8-9H,7H2,(H3,22,24,25,26)
InChIKeyFHSXQXXALXFXON-UHFFFAOYSA-N
MW411.26 g/mol
LogP3.56
Rot. Bonds4

About 4-amino-6-[[3-chloro-6-(3-chlorophenyl)imidazo[1,2-b]pyridazin-7-yl]methylamino]pyrimidine-5-carbonitrile

4-amino-6-[[3-chloro-6-(3-chlorophenyl)imidazo[1,2-b]pyridazin-7-yl]methylamino]pyrimidine-5-carbonitrile (PubChem CID 130400172) has the molecular formula C18H12Cl2N8 and a molecular weight of 411.26 g/mol. Its IUPAC name is 4-amino-6-[[3-chloro-6-(3-chlorophenyl)imidazo[1,2-b]pyridazin-7-yl]methylamino]pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-amino-6-[[3-chloro-6-(3-chlorophenyl)imidazo[1,2-b]pyridazin-7-yl]methylamino]pyrimidine-5-carbonitrile
PubChem CID130400172
Molecular FormulaC18H12Cl2N8
Molecular Weight411.26 g/mol
Exact Mass410.06
IUPAC Name4-amino-6-[[3-chloro-6-(3-chlorophenyl)imidazo[1,2-b]pyridazin-7-yl]methylamino]pyrimidine-5-carbonitrile
SMILESN#Cc1c(N)ncnc1NCc1cc2ncc(Cl)n2nc1-c1cccc(Cl)c1
InChIInChI=1S/C18H12Cl2N8/c19-12-3-1-2-10(4-12)16-11(5-15-23-8-14(20)28(15)27-16)7-24-18-13(6-21)17(22)25-9-26-18/h1-5,8-9H,7H2,(H3,22,24,25,26)
InChIKeyFHSXQXXALXFXON-UHFFFAOYSA-N
XLogP3.56
TPSA117.81 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.26
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

4-amino-6-[[(1S)-1-[3-chloro-6-(3-chlorophenyl)imidazo[1,2-b]pyridazin-7-yl]-1-hydroxyethyl]amino]pyrimidine-5-carbonitrile
CID 163717364
4-amino-6-[[(1R)-1-[3-chloro-6-[3-(2-hydroxypropan-2-yl)phenyl]imidazo[1,2-b]pyridazin-7-yl]ethyl]amino]pyrimidine-5-carbonitrile
CID 121245085
4-amino-6-[[(1S)-1-[3-chloro-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-7-yl]ethyl]amino]pyrimidine-5-carbonitrile;sulfane
CID 158617739
4-amino-6-[[(1S)-1-[3-chloro-6-(2-hydroxyphenyl)imidazo[1,2-b]pyridazin-7-yl]-1-hydroxyethyl]amino]pyrimidine-5-carbonitrile
CID 147004604
4-amino-6-[[(1S)-1-[3-chloro-6-(4-chloro-3-fluorophenyl)imidazo[1,2-b]pyridazin-7-yl]ethyl]amino]pyrimidine-5-carbonitrile
CID 121245237
4-amino-6-[[(1S)-1-[3-chloro-6-(4-chloro-3-fluorophenyl)imidazo[1,2-b]pyridazin-7-yl]ethyl]amino]pyrimidine-5-carbonitrile;sulfane
CID 159205281
4-amino-6-[[(1S)-1-[3-chloro-6-(2-methylsulfonylphenyl)imidazo[1,2-b]pyridazin-7-yl]ethyl]amino]pyrimidine-5-carbonitrile
CID 121245143
4-amino-6-[1-[3-chloro-6-(3,5-difluorophenyl)imidazo[1,2-b]pyridazin-7-yl]ethylamino]pyrimidine-5-carbonitrile
CID 118981843
4-amino-6-[[(1S)-1-[3-chloro-5-(3-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidin-6-yl]ethyl]amino]pyrimidine-5-carbonitrile
CID 170069265
4-amino-6-[[3-(3-fluorophenyl)indolizin-2-yl]methylamino]pyrimidine-5-carbonitrile
CID 118573159
4-amino-6-[1-(3-chloro-6-phenylimidazo[1,2-b]pyridazin-7-yl)ethylamino]pyrimidine-5-carboxylic acid
CID 130387089
4-amino-6-[[(1S)-1-(3-chloro-6-phenylimidazo[1,2-b]pyridazin-7-yl)ethyl]amino]pyrimidine-5-carboxamide
CID 118981795

Frequently Asked Questions

What is the IUPAC name of 4-amino-6-[[3-chloro-6-(3-chlorophenyl)imidazo[1,2-b]pyridazin-7-yl]methylamino]pyrimidine-5-carbonitrile?
The IUPAC name of 4-amino-6-[[3-chloro-6-(3-chlorophenyl)imidazo[1,2-b]pyridazin-7-yl]methylamino]pyrimidine-5-carbonitrile (CID 130400172) is 4-amino-6-[[3-chloro-6-(3-chlorophenyl)imidazo[1,2-b]pyridazin-7-yl]methylamino]pyrimidine-5-carbonitrile.
What is the SMILES notation for 4-amino-6-[[3-chloro-6-(3-chlorophenyl)imidazo[1,2-b]pyridazin-7-yl]methylamino]pyrimidine-5-carbonitrile?
The canonical SMILES for 4-amino-6-[[3-chloro-6-(3-chlorophenyl)imidazo[1,2-b]pyridazin-7-yl]methylamino]pyrimidine-5-carbonitrile is N#Cc1c(N)ncnc1NCc1cc2ncc(Cl)n2nc1-c1cccc(Cl)c1.
What is the InChIKey of 4-amino-6-[[3-chloro-6-(3-chlorophenyl)imidazo[1,2-b]pyridazin-7-yl]methylamino]pyrimidine-5-carbonitrile?
The InChIKey is FHSXQXXALXFXON-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12Cl2N8/c19-12-3-1-2-10(4-12)16-11(5-15-23-8-14(20)28(15)27-16)7-24-18-13(6-21)17(22)25-9-26-18/h1-5,8-9H,7H2,(H3,22,24,25,26).
What are the key properties of 4-amino-6-[[3-chloro-6-(3-chlorophenyl)imidazo[1,2-b]pyridazin-7-yl]methylamino]pyrimidine-5-carbonitrile?
4-amino-6-[[3-chloro-6-(3-chlorophenyl)imidazo[1,2-b]pyridazin-7-yl]methylamino]pyrimidine-5-carbonitrile has a molecular weight of 411.26 g/mol, XLogP of 3.56, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-[[3-chloro-6-(3-chlorophenyl)imidazo[1,2-b]pyridazin-7-yl]methylamino]pyrimidine-5-carbonitrile is sourced from PubChem (CID 130400172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).