2-(2-ethoxy-3-pyridinyl)-8-methyl-6-(oxolan-3-yl)imidazo[1,5-a]pyrimidine

C18H20N4O2 — CID 142608512

IUPAC2-(2-ethoxy-3-pyridinyl)-8-methyl-6-(oxolan-3-yl)imidazo[1,5-a]pyrimidine
SMILESCCOc1ncccc1-c1ccn2c(C3CCOC3)nc(C)c2n1
InChIInChI=1S/C18H20N4O2/c1-3-24-18-14(5-4-8-19-18)15-6-9-22-16(21-15)12(2)20-17(22)13-7-10-23-11-13/h4-6,8-9,13H,3,7,10-11H2,1-2H3
InChIKeyVVCJQASQABSXFG-UHFFFAOYSA-N
MW324.38 g/mol
LogP3.00
Rot. Bonds4

About 2-(2-ethoxy-3-pyridinyl)-8-methyl-6-(oxolan-3-yl)imidazo[1,5-a]pyrimidine

2-(2-ethoxy-3-pyridinyl)-8-methyl-6-(oxolan-3-yl)imidazo[1,5-a]pyrimidine (PubChem CID 142608512) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is 2-(2-ethoxy-3-pyridinyl)-8-methyl-6-(oxolan-3-yl)imidazo[1,5-a]pyrimidine.

Molecular Properties

Compound Name2-(2-ethoxy-3-pyridinyl)-8-methyl-6-(oxolan-3-yl)imidazo[1,5-a]pyrimidine
PubChem CID142608512
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC Name2-(2-ethoxy-3-pyridinyl)-8-methyl-6-(oxolan-3-yl)imidazo[1,5-a]pyrimidine
SMILESCCOc1ncccc1-c1ccn2c(C3CCOC3)nc(C)c2n1
InChIInChI=1S/C18H20N4O2/c1-3-24-18-14(5-4-8-19-18)15-6-9-22-16(21-15)12(2)20-17(22)13-7-10-23-11-13/h4-6,8-9,13H,3,7,10-11H2,1-2H3
InChIKeyVVCJQASQABSXFG-UHFFFAOYSA-N
XLogP3.00
TPSA61.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxy-3-pyridinyl)-8-methyl-6-(oxolan-3-yl)imidazo[1,5-a]pyrimidine?
The IUPAC name of 2-(2-ethoxy-3-pyridinyl)-8-methyl-6-(oxolan-3-yl)imidazo[1,5-a]pyrimidine (CID 142608512) is 2-(2-ethoxy-3-pyridinyl)-8-methyl-6-(oxolan-3-yl)imidazo[1,5-a]pyrimidine.
What is the SMILES notation for 2-(2-ethoxy-3-pyridinyl)-8-methyl-6-(oxolan-3-yl)imidazo[1,5-a]pyrimidine?
The canonical SMILES for 2-(2-ethoxy-3-pyridinyl)-8-methyl-6-(oxolan-3-yl)imidazo[1,5-a]pyrimidine is CCOc1ncccc1-c1ccn2c(C3CCOC3)nc(C)c2n1.
What is the InChIKey of 2-(2-ethoxy-3-pyridinyl)-8-methyl-6-(oxolan-3-yl)imidazo[1,5-a]pyrimidine?
The InChIKey is VVCJQASQABSXFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-3-24-18-14(5-4-8-19-18)15-6-9-22-16(21-15)12(2)20-17(22)13-7-10-23-11-13/h4-6,8-9,13H,3,7,10-11H2,1-2H3.
What are the key properties of 2-(2-ethoxy-3-pyridinyl)-8-methyl-6-(oxolan-3-yl)imidazo[1,5-a]pyrimidine?
2-(2-ethoxy-3-pyridinyl)-8-methyl-6-(oxolan-3-yl)imidazo[1,5-a]pyrimidine has a molecular weight of 324.38 g/mol, XLogP of 3.00, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxy-3-pyridinyl)-8-methyl-6-(oxolan-3-yl)imidazo[1,5-a]pyrimidine is sourced from PubChem (CID 142608512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).