4-amino-6-[[(1S)-1-(3-chloro-6-phenylimidazo[1,2-b]pyridazin-7-yl)ethyl]amino]pyrimidine-5-carboxamide

C19H17ClN8O — CID 118981795

IUPAC4-amino-6-[[(1S)-1-(3-chloro-6-phenylimidazo[1,2-b]pyridazin-7-yl)ethyl]amino]pyrimidine-5-carboxamide
SMILESC[C@H](Nc1ncnc(N)c1C(N)=O)c1cc2ncc(Cl)n2nc1-c1ccccc1
InChIInChI=1S/C19H17ClN8O/c1-10(26-19-15(18(22)29)17(21)24-9-25-19)12-7-14-23-8-13(20)28(14)27-16(12)11-5-3-2-4-6-11/h2-10H,1H3,(H2,22,29)(H3,21,24,25,26)/t10-/m0/s1
InChIKeyLOUUAHAZUSMNCS-JTQLQIEISA-N
MW408.85 g/mol
LogP2.69
Rot. Bonds5

About 4-amino-6-[[(1S)-1-(3-chloro-6-phenylimidazo[1,2-b]pyridazin-7-yl)ethyl]amino]pyrimidine-5-carboxamide

4-amino-6-[[(1S)-1-(3-chloro-6-phenylimidazo[1,2-b]pyridazin-7-yl)ethyl]amino]pyrimidine-5-carboxamide (PubChem CID 118981795) has the molecular formula C19H17ClN8O and a molecular weight of 408.85 g/mol. Its IUPAC name is 4-amino-6-[[(1S)-1-(3-chloro-6-phenylimidazo[1,2-b]pyridazin-7-yl)ethyl]amino]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-amino-6-[[(1S)-1-(3-chloro-6-phenylimidazo[1,2-b]pyridazin-7-yl)ethyl]amino]pyrimidine-5-carboxamide
PubChem CID118981795
Molecular FormulaC19H17ClN8O
Molecular Weight408.85 g/mol
Exact Mass408.12
IUPAC Name4-amino-6-[[(1S)-1-(3-chloro-6-phenylimidazo[1,2-b]pyridazin-7-yl)ethyl]amino]pyrimidine-5-carboxamide
SMILESC[C@H](Nc1ncnc(N)c1C(N)=O)c1cc2ncc(Cl)n2nc1-c1ccccc1
InChIInChI=1S/C19H17ClN8O/c1-10(26-19-15(18(22)29)17(21)24-9-25-19)12-7-14-23-8-13(20)28(14)27-16(12)11-5-3-2-4-6-11/h2-10H,1H3,(H2,22,29)(H3,21,24,25,26)/t10-/m0/s1
InChIKeyLOUUAHAZUSMNCS-JTQLQIEISA-N
XLogP2.69
TPSA137.11 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.85
LogP ≤ 52.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

4-amino-6-[1-(3-chloro-6-phenylimidazo[1,2-b]pyridazin-7-yl)ethylamino]pyrimidine-5-carboxylic acid
CID 130387089
4-[4-amino-6-[[(1S)-1-(3-chloro-6-phenylimidazo[1,2-b]pyridazin-7-yl)ethyl]amino]pyrimidin-5-yl]-2-fluorophenol
CID 121245226
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-N-[(1S)-1-(3-chloro-6-phenylimidazo[1,2-b]pyridazin-7-yl)ethyl]-1-hydroxy-5-isocyanopyrimidin-1-ium-4,6-diamine
CID 140809026
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-[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-6-(2-methylsulfonylphenyl)imidazo[1,2-b]pyridazin-7-yl]ethyl]amino]pyrimidine-5-carbonitrile
CID 121245143
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-N-[(1S)-1-[3-chloro-6-(2-methylsulfonylphenyl)imidazo[1,2-b]pyridazin-7-yl]ethyl]-5-isocyanopyrimidine-4,6-diamine
CID 140809051
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-[4-amino-6-[[(1S)-1-(3-chloro-6-phenylimidazo[1,2-b]pyridazin-7-yl)ethyl]amino]pyrimidin-5-yl]-2-fluorophenol;5-chloro-4-N-[(1S)-1-[3-chloro-6-(3-chlorophenyl)imidazo[1,2-b]pyridazin-7-yl]ethyl]pyrimidine-4,6-diamine;5-chloro-4-N-[(1S)-1-(3-chloro-6-phenylimidazo[1,2-b]pyridazin-7-yl)ethyl]pyrimidine-4,6-diamine;4-N-[(1S)-1-(3-chloro-6-phenylimidazo[1,2-b]pyridazin-7-yl)ethyl]-5-(3-fluorophenyl)pyrimidine-4,6-diamine;4-N-[(1S)-1-(3-chloro-6-phenylimidazo[1,2-b]pyridazin-7-yl)ethyl]-5-(6-methoxy-3-pyridinyl)pyrimidine-4,6-diamine
CID 159086630
4-N-[(1S)-1-[3-chloro-6-(3-fluorophenyl)imidazo[1,2-b]pyridazin-7-yl]propyl]-5-isocyanopyrimidine-4,6-diamine;N-[(1S)-1-[3-chloro-6-(2-fluorophenyl)imidazo[1,2-b]pyridazin-7-yl]propyl]-7H-purin-6-amine;5-isocyano-4-N-[(1S)-1-(3-methyl-6-phenylimidazo[1,2-b]pyridazin-7-yl)ethyl]pyrimidine-4,6-diamine;N-[(1S)-1-(3-methyl-6-phenylimidazo[1,2-b]pyridazin-7-yl)ethyl]-7H-purin-6-amine
CID 160653147

Frequently Asked Questions

What is the IUPAC name of 4-amino-6-[[(1S)-1-(3-chloro-6-phenylimidazo[1,2-b]pyridazin-7-yl)ethyl]amino]pyrimidine-5-carboxamide?
The IUPAC name of 4-amino-6-[[(1S)-1-(3-chloro-6-phenylimidazo[1,2-b]pyridazin-7-yl)ethyl]amino]pyrimidine-5-carboxamide (CID 118981795) is 4-amino-6-[[(1S)-1-(3-chloro-6-phenylimidazo[1,2-b]pyridazin-7-yl)ethyl]amino]pyrimidine-5-carboxamide.
What is the SMILES notation for 4-amino-6-[[(1S)-1-(3-chloro-6-phenylimidazo[1,2-b]pyridazin-7-yl)ethyl]amino]pyrimidine-5-carboxamide?
The canonical SMILES for 4-amino-6-[[(1S)-1-(3-chloro-6-phenylimidazo[1,2-b]pyridazin-7-yl)ethyl]amino]pyrimidine-5-carboxamide is C[C@H](Nc1ncnc(N)c1C(N)=O)c1cc2ncc(Cl)n2nc1-c1ccccc1.
What is the InChIKey of 4-amino-6-[[(1S)-1-(3-chloro-6-phenylimidazo[1,2-b]pyridazin-7-yl)ethyl]amino]pyrimidine-5-carboxamide?
The InChIKey is LOUUAHAZUSMNCS-JTQLQIEISA-N. The full InChI is InChI=1S/C19H17ClN8O/c1-10(26-19-15(18(22)29)17(21)24-9-25-19)12-7-14-23-8-13(20)28(14)27-16(12)11-5-3-2-4-6-11/h2-10H,1H3,(H2,22,29)(H3,21,24,25,26)/t10-/m0/s1.
What are the key properties of 4-amino-6-[[(1S)-1-(3-chloro-6-phenylimidazo[1,2-b]pyridazin-7-yl)ethyl]amino]pyrimidine-5-carboxamide?
4-amino-6-[[(1S)-1-(3-chloro-6-phenylimidazo[1,2-b]pyridazin-7-yl)ethyl]amino]pyrimidine-5-carboxamide has a molecular weight of 408.85 g/mol, XLogP of 2.69, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-[[(1S)-1-(3-chloro-6-phenylimidazo[1,2-b]pyridazin-7-yl)ethyl]amino]pyrimidine-5-carboxamide is sourced from PubChem (CID 118981795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).