8-[(1R,2S)-2-benzylcyclopropyl]-6-pyrimidin-5-ylimidazo[1,2-b]pyridazine

C20H17N5 — CID 167436348

IUPAC8-[(1R,2S)-2-benzylcyclopropyl]-6-pyrimidin-5-ylimidazo[1,2-b]pyridazine
SMILESc1ccc(C[C@@H]2C[C@H]2c2cc(-c3cncnc3)nn3ccnc23)cc1
InChIInChI=1S/C20H17N5/c1-2-4-14(5-3-1)8-15-9-17(15)18-10-19(16-11-21-13-22-12-16)24-25-7-6-23-20(18)25/h1-7,10-13,15,17H,8-9H2/t15-,17-/m1/s1
InChIKeyPHTLEHFBWBIYNJ-NVXWUHKLSA-N
MW327.39 g/mol
LogP3.53
Rot. Bonds4

About 8-[(1R,2S)-2-benzylcyclopropyl]-6-pyrimidin-5-ylimidazo[1,2-b]pyridazine

8-[(1R,2S)-2-benzylcyclopropyl]-6-pyrimidin-5-ylimidazo[1,2-b]pyridazine (PubChem CID 167436348) has the molecular formula C20H17N5 and a molecular weight of 327.39 g/mol. Its IUPAC name is 8-[(1R,2S)-2-benzylcyclopropyl]-6-pyrimidin-5-ylimidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name8-[(1R,2S)-2-benzylcyclopropyl]-6-pyrimidin-5-ylimidazo[1,2-b]pyridazine
PubChem CID167436348
Molecular FormulaC20H17N5
Molecular Weight327.39 g/mol
Exact Mass327.15
IUPAC Name8-[(1R,2S)-2-benzylcyclopropyl]-6-pyrimidin-5-ylimidazo[1,2-b]pyridazine
SMILESc1ccc(C[C@@H]2C[C@H]2c2cc(-c3cncnc3)nn3ccnc23)cc1
InChIInChI=1S/C20H17N5/c1-2-4-14(5-3-1)8-15-9-17(15)18-10-19(16-11-21-13-22-12-16)24-25-7-6-23-20(18)25/h1-7,10-13,15,17H,8-9H2/t15-,17-/m1/s1
InChIKeyPHTLEHFBWBIYNJ-NVXWUHKLSA-N
XLogP3.53
TPSA55.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-[(1R,2S)-2-benzylcyclopropyl]-6-pyrimidin-5-ylimidazo[1,2-b]pyridazine?
The IUPAC name of 8-[(1R,2S)-2-benzylcyclopropyl]-6-pyrimidin-5-ylimidazo[1,2-b]pyridazine (CID 167436348) is 8-[(1R,2S)-2-benzylcyclopropyl]-6-pyrimidin-5-ylimidazo[1,2-b]pyridazine.
What is the SMILES notation for 8-[(1R,2S)-2-benzylcyclopropyl]-6-pyrimidin-5-ylimidazo[1,2-b]pyridazine?
The canonical SMILES for 8-[(1R,2S)-2-benzylcyclopropyl]-6-pyrimidin-5-ylimidazo[1,2-b]pyridazine is c1ccc(C[C@@H]2C[C@H]2c2cc(-c3cncnc3)nn3ccnc23)cc1.
What is the InChIKey of 8-[(1R,2S)-2-benzylcyclopropyl]-6-pyrimidin-5-ylimidazo[1,2-b]pyridazine?
The InChIKey is PHTLEHFBWBIYNJ-NVXWUHKLSA-N. The full InChI is InChI=1S/C20H17N5/c1-2-4-14(5-3-1)8-15-9-17(15)18-10-19(16-11-21-13-22-12-16)24-25-7-6-23-20(18)25/h1-7,10-13,15,17H,8-9H2/t15-,17-/m1/s1.
What are the key properties of 8-[(1R,2S)-2-benzylcyclopropyl]-6-pyrimidin-5-ylimidazo[1,2-b]pyridazine?
8-[(1R,2S)-2-benzylcyclopropyl]-6-pyrimidin-5-ylimidazo[1,2-b]pyridazine has a molecular weight of 327.39 g/mol, XLogP of 3.53, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(1R,2S)-2-benzylcyclopropyl]-6-pyrimidin-5-ylimidazo[1,2-b]pyridazine is sourced from PubChem (CID 167436348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).