4-[6-chloro-2-(3-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-2-amine

C17H13ClN6 — CID 59759615

IUPAC4-[6-chloro-2-(3-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-2-amine
SMILESCc1cccc(-c2nc3ccc(Cl)nn3c2-c2ccnc(N)n2)c1
InChIInChI=1S/C17H13ClN6/c1-10-3-2-4-11(9-10)15-16(12-7-8-20-17(19)21-12)24-14(22-15)6-5-13(18)23-24/h2-9H,1H3,(H2,19,20,21)
InChIKeyKUSLNCMJIXGPJN-UHFFFAOYSA-N
MW336.79 g/mol
LogP3.40
Rot. Bonds2

About 4-[6-chloro-2-(3-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-2-amine

4-[6-chloro-2-(3-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-2-amine (PubChem CID 59759615) has the molecular formula C17H13ClN6 and a molecular weight of 336.79 g/mol. Its IUPAC name is 4-[6-chloro-2-(3-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[6-chloro-2-(3-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-2-amine
PubChem CID59759615
Molecular FormulaC17H13ClN6
Molecular Weight336.79 g/mol
Exact Mass336.09
IUPAC Name4-[6-chloro-2-(3-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-2-amine
SMILESCc1cccc(-c2nc3ccc(Cl)nn3c2-c2ccnc(N)n2)c1
InChIInChI=1S/C17H13ClN6/c1-10-3-2-4-11(9-10)15-16(12-7-8-20-17(19)21-12)24-14(22-15)6-5-13(18)23-24/h2-9H,1H3,(H2,19,20,21)
InChIKeyKUSLNCMJIXGPJN-UHFFFAOYSA-N
XLogP3.40
TPSA81.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.79
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[6-chloro-2-(3-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-2-amine?
The IUPAC name of 4-[6-chloro-2-(3-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-2-amine (CID 59759615) is 4-[6-chloro-2-(3-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-[6-chloro-2-(3-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-2-amine?
The canonical SMILES for 4-[6-chloro-2-(3-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-2-amine is Cc1cccc(-c2nc3ccc(Cl)nn3c2-c2ccnc(N)n2)c1.
What is the InChIKey of 4-[6-chloro-2-(3-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-2-amine?
The InChIKey is KUSLNCMJIXGPJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN6/c1-10-3-2-4-11(9-10)15-16(12-7-8-20-17(19)21-12)24-14(22-15)6-5-13(18)23-24/h2-9H,1H3,(H2,19,20,21).
What are the key properties of 4-[6-chloro-2-(3-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-2-amine?
4-[6-chloro-2-(3-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-2-amine has a molecular weight of 336.79 g/mol, XLogP of 3.40, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-chloro-2-(3-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-2-amine is sourced from PubChem (CID 59759615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).