4-(3-methylimidazo[1,2-b]pyridazin-6-yl)-N-(oxan-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine

C18H19N7O — CID 175879620

IUPAC4-(3-methylimidazo[1,2-b]pyridazin-6-yl)-N-(oxan-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine
SMILESCc1cnc2ccc(-c3nc(NC4CCOCC4)nc4[nH]ccc34)nn12
InChIInChI=1S/C18H19N7O/c1-11-10-20-15-3-2-14(24-25(11)15)16-13-4-7-19-17(13)23-18(22-16)21-12-5-8-26-9-6-12/h2-4,7,10,12H,5-6,8-9H2,1H3,(H2,19,21,22,23)
InChIKeyJADOBAPVGFDXHN-UHFFFAOYSA-N
MW349.40 g/mol
LogP2.57
Rot. Bonds3

About 4-(3-methylimidazo[1,2-b]pyridazin-6-yl)-N-(oxan-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine

4-(3-methylimidazo[1,2-b]pyridazin-6-yl)-N-(oxan-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine (PubChem CID 175879620) has the molecular formula C18H19N7O and a molecular weight of 349.40 g/mol. Its IUPAC name is 4-(3-methylimidazo[1,2-b]pyridazin-6-yl)-N-(oxan-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name4-(3-methylimidazo[1,2-b]pyridazin-6-yl)-N-(oxan-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine
PubChem CID175879620
Molecular FormulaC18H19N7O
Molecular Weight349.40 g/mol
Exact Mass349.17
IUPAC Name4-(3-methylimidazo[1,2-b]pyridazin-6-yl)-N-(oxan-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine
SMILESCc1cnc2ccc(-c3nc(NC4CCOCC4)nc4[nH]ccc34)nn12
InChIInChI=1S/C18H19N7O/c1-11-10-20-15-3-2-14(24-25(11)15)16-13-4-7-19-17(13)23-18(22-16)21-12-5-8-26-9-6-12/h2-4,7,10,12H,5-6,8-9H2,1H3,(H2,19,21,22,23)
InChIKeyJADOBAPVGFDXHN-UHFFFAOYSA-N
XLogP2.57
TPSA93.02 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.40
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methylimidazo[1,2-b]pyridazin-6-yl)-N-(oxan-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine?
The IUPAC name of 4-(3-methylimidazo[1,2-b]pyridazin-6-yl)-N-(oxan-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine (CID 175879620) is 4-(3-methylimidazo[1,2-b]pyridazin-6-yl)-N-(oxan-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for 4-(3-methylimidazo[1,2-b]pyridazin-6-yl)-N-(oxan-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine?
The canonical SMILES for 4-(3-methylimidazo[1,2-b]pyridazin-6-yl)-N-(oxan-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine is Cc1cnc2ccc(-c3nc(NC4CCOCC4)nc4[nH]ccc34)nn12.
What is the InChIKey of 4-(3-methylimidazo[1,2-b]pyridazin-6-yl)-N-(oxan-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine?
The InChIKey is JADOBAPVGFDXHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N7O/c1-11-10-20-15-3-2-14(24-25(11)15)16-13-4-7-19-17(13)23-18(22-16)21-12-5-8-26-9-6-12/h2-4,7,10,12H,5-6,8-9H2,1H3,(H2,19,21,22,23).
What are the key properties of 4-(3-methylimidazo[1,2-b]pyridazin-6-yl)-N-(oxan-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine?
4-(3-methylimidazo[1,2-b]pyridazin-6-yl)-N-(oxan-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine has a molecular weight of 349.40 g/mol, XLogP of 2.57, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylimidazo[1,2-b]pyridazin-6-yl)-N-(oxan-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 175879620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).