2-(oxolan-3-ylmethyl)-7-propan-2-yloxyimidazo[1,2-a]pyrimidine-6-carboxylic acid

C15H19N3O4 — CID 164554836

IUPAC2-(oxolan-3-ylmethyl)-7-propan-2-yloxyimidazo[1,2-a]pyrimidine-6-carboxylic acid
SMILESCC(C)Oc1nc2nc(CC3CCOC3)cn2cc1C(=O)O
InChIInChI=1S/C15H19N3O4/c1-9(2)22-13-12(14(19)20)7-18-6-11(16-15(18)17-13)5-10-3-4-21-8-10/h6-7,9-10H,3-5,8H2,1-2H3,(H,19,20)
InChIKeyIDISQABEXWNFHR-UHFFFAOYSA-N
MW305.33 g/mol
LogP1.79
Rot. Bonds5

About 2-(oxolan-3-ylmethyl)-7-propan-2-yloxyimidazo[1,2-a]pyrimidine-6-carboxylic acid

2-(oxolan-3-ylmethyl)-7-propan-2-yloxyimidazo[1,2-a]pyrimidine-6-carboxylic acid (PubChem CID 164554836) has the molecular formula C15H19N3O4 and a molecular weight of 305.33 g/mol. Its IUPAC name is 2-(oxolan-3-ylmethyl)-7-propan-2-yloxyimidazo[1,2-a]pyrimidine-6-carboxylic acid.

Molecular Properties

Compound Name2-(oxolan-3-ylmethyl)-7-propan-2-yloxyimidazo[1,2-a]pyrimidine-6-carboxylic acid
PubChem CID164554836
Molecular FormulaC15H19N3O4
Molecular Weight305.33 g/mol
Exact Mass305.14
IUPAC Name2-(oxolan-3-ylmethyl)-7-propan-2-yloxyimidazo[1,2-a]pyrimidine-6-carboxylic acid
SMILESCC(C)Oc1nc2nc(CC3CCOC3)cn2cc1C(=O)O
InChIInChI=1S/C15H19N3O4/c1-9(2)22-13-12(14(19)20)7-18-6-11(16-15(18)17-13)5-10-3-4-21-8-10/h6-7,9-10H,3-5,8H2,1-2H3,(H,19,20)
InChIKeyIDISQABEXWNFHR-UHFFFAOYSA-N
XLogP1.79
TPSA85.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-3-ylmethyl)-7-propan-2-yloxyimidazo[1,2-a]pyrimidine-6-carboxylic acid?
The IUPAC name of 2-(oxolan-3-ylmethyl)-7-propan-2-yloxyimidazo[1,2-a]pyrimidine-6-carboxylic acid (CID 164554836) is 2-(oxolan-3-ylmethyl)-7-propan-2-yloxyimidazo[1,2-a]pyrimidine-6-carboxylic acid.
What is the SMILES notation for 2-(oxolan-3-ylmethyl)-7-propan-2-yloxyimidazo[1,2-a]pyrimidine-6-carboxylic acid?
The canonical SMILES for 2-(oxolan-3-ylmethyl)-7-propan-2-yloxyimidazo[1,2-a]pyrimidine-6-carboxylic acid is CC(C)Oc1nc2nc(CC3CCOC3)cn2cc1C(=O)O.
What is the InChIKey of 2-(oxolan-3-ylmethyl)-7-propan-2-yloxyimidazo[1,2-a]pyrimidine-6-carboxylic acid?
The InChIKey is IDISQABEXWNFHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O4/c1-9(2)22-13-12(14(19)20)7-18-6-11(16-15(18)17-13)5-10-3-4-21-8-10/h6-7,9-10H,3-5,8H2,1-2H3,(H,19,20).
What are the key properties of 2-(oxolan-3-ylmethyl)-7-propan-2-yloxyimidazo[1,2-a]pyrimidine-6-carboxylic acid?
2-(oxolan-3-ylmethyl)-7-propan-2-yloxyimidazo[1,2-a]pyrimidine-6-carboxylic acid has a molecular weight of 305.33 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-3-ylmethyl)-7-propan-2-yloxyimidazo[1,2-a]pyrimidine-6-carboxylic acid is sourced from PubChem (CID 164554836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).