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

C20H18N8 — CID 130387161

IUPAC4-amino-6-[methyl-[(1S)-1-(6-phenylimidazo[1,2-b]pyridazin-7-yl)ethyl]amino]pyrimidine-5-carbonitrile
SMILESC[C@@H](c1cc2nccn2nc1-c1ccccc1)N(C)c1ncnc(N)c1C#N
InChIInChI=1S/C20H18N8/c1-13(27(2)20-16(11-21)19(22)24-12-25-20)15-10-17-23-8-9-28(17)26-18(15)14-6-4-3-5-7-14/h3-10,12-13H,1-2H3,(H2,22,24,25)/t13-/m0/s1
InChIKeyNWMYKGYKJDSZFV-ZDUSSCGKSA-N
MW370.42 g/mol
LogP2.84
Rot. Bonds4

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

4-amino-6-[methyl-[(1S)-1-(6-phenylimidazo[1,2-b]pyridazin-7-yl)ethyl]amino]pyrimidine-5-carbonitrile (PubChem CID 130387161) has the molecular formula C20H18N8 and a molecular weight of 370.42 g/mol. Its IUPAC name is 4-amino-6-[methyl-[(1S)-1-(6-phenylimidazo[1,2-b]pyridazin-7-yl)ethyl]amino]pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-amino-6-[methyl-[(1S)-1-(6-phenylimidazo[1,2-b]pyridazin-7-yl)ethyl]amino]pyrimidine-5-carbonitrile
PubChem CID130387161
Molecular FormulaC20H18N8
Molecular Weight370.42 g/mol
Exact Mass370.17
IUPAC Name4-amino-6-[methyl-[(1S)-1-(6-phenylimidazo[1,2-b]pyridazin-7-yl)ethyl]amino]pyrimidine-5-carbonitrile
SMILESC[C@@H](c1cc2nccn2nc1-c1ccccc1)N(C)c1ncnc(N)c1C#N
InChIInChI=1S/C20H18N8/c1-13(27(2)20-16(11-21)19(22)24-12-25-20)15-10-17-23-8-9-28(17)26-18(15)14-6-4-3-5-7-14/h3-10,12-13H,1-2H3,(H2,22,24,25)/t13-/m0/s1
InChIKeyNWMYKGYKJDSZFV-ZDUSSCGKSA-N
XLogP2.84
TPSA109.02 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.42
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

4-amino-6-[1-[6-(3,5-difluorophenyl)imidazo[1,2-b]pyridazin-7-yl]ethylamino]pyrimidine-5-carbonitrile
CID 130387073
4-chloro-7-[(1S)-1-(6-phenylimidazo[1,2-b]pyridazin-7-yl)ethyl]pyrrolo[2,3-d]pyrimidine
CID 130387074
5-(3-methyl-1,2,4-oxadiazol-5-yl)-4-N-[(1S)-1-(6-phenylimidazo[1,2-b]pyridazin-7-yl)ethyl]pyrimidine-4,6-diamine
CID 121245196
5-isocyano-6-N-methyl-4-N-[(1S)-1-(6-phenylimidazo[1,2-b]pyridazin-7-yl)ethyl]pyrimidine-4,6-diamine
CID 140809073
(1S)-1-(6-thiophen-3-ylimidazo[1,2-b]pyridazin-7-yl)ethanamine
CID 121245147
4-amino-6-[[(1S)-1-(3-fluoro-2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-6-yl)ethyl]amino]pyrimidine-5-carbonitrile
CID 170069070
(1R)-1-[6-(1,3-benzothiazol-5-yl)imidazo[1,2-b]pyridazin-7-yl]ethanamine
CID 121245150
1-(6-phenylimidazo[1,2-b]pyridazin-7-yl)ethanimine
CID 145049738
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-[1-(3-chloro-5-phenylpyrazolo[1,5-a]pyrimidin-6-yl)ethylamino]pyrimidine-5-carbonitrile
CID 139410772
4-amino-6-[[(1S)-1-(11-phenyl-4-oxa-7,8,12-triazatricyclo[6.4.0.02,6]dodeca-1,6,9,11-tetraen-10-yl)ethyl]amino]pyrimidine-5-carbonitrile
CID 170069130
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

Frequently Asked Questions

What is the IUPAC name of 4-amino-6-[methyl-[(1S)-1-(6-phenylimidazo[1,2-b]pyridazin-7-yl)ethyl]amino]pyrimidine-5-carbonitrile?
The IUPAC name of 4-amino-6-[methyl-[(1S)-1-(6-phenylimidazo[1,2-b]pyridazin-7-yl)ethyl]amino]pyrimidine-5-carbonitrile (CID 130387161) is 4-amino-6-[methyl-[(1S)-1-(6-phenylimidazo[1,2-b]pyridazin-7-yl)ethyl]amino]pyrimidine-5-carbonitrile.
What is the SMILES notation for 4-amino-6-[methyl-[(1S)-1-(6-phenylimidazo[1,2-b]pyridazin-7-yl)ethyl]amino]pyrimidine-5-carbonitrile?
The canonical SMILES for 4-amino-6-[methyl-[(1S)-1-(6-phenylimidazo[1,2-b]pyridazin-7-yl)ethyl]amino]pyrimidine-5-carbonitrile is C[C@@H](c1cc2nccn2nc1-c1ccccc1)N(C)c1ncnc(N)c1C#N.
What is the InChIKey of 4-amino-6-[methyl-[(1S)-1-(6-phenylimidazo[1,2-b]pyridazin-7-yl)ethyl]amino]pyrimidine-5-carbonitrile?
The InChIKey is NWMYKGYKJDSZFV-ZDUSSCGKSA-N. The full InChI is InChI=1S/C20H18N8/c1-13(27(2)20-16(11-21)19(22)24-12-25-20)15-10-17-23-8-9-28(17)26-18(15)14-6-4-3-5-7-14/h3-10,12-13H,1-2H3,(H2,22,24,25)/t13-/m0/s1.
What are the key properties of 4-amino-6-[methyl-[(1S)-1-(6-phenylimidazo[1,2-b]pyridazin-7-yl)ethyl]amino]pyrimidine-5-carbonitrile?
4-amino-6-[methyl-[(1S)-1-(6-phenylimidazo[1,2-b]pyridazin-7-yl)ethyl]amino]pyrimidine-5-carbonitrile has a molecular weight of 370.42 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-[methyl-[(1S)-1-(6-phenylimidazo[1,2-b]pyridazin-7-yl)ethyl]amino]pyrimidine-5-carbonitrile is sourced from PubChem (CID 130387161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).