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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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).