ethyl 2-(2-methoxy-4-pyridinyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxylate

C16H16N4O3 — CID 131988114

IUPACethyl 2-(2-methoxy-4-pyridinyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxylate
SMILESCCOC(=O)c1ncn2c(C)cc(-c3ccnc(OC)c3)nc12
InChIInChI=1S/C16H16N4O3/c1-4-23-16(21)14-15-19-12(7-10(2)20(15)9-18-14)11-5-6-17-13(8-11)22-3/h5-9H,4H2,1-3H3
InChIKeyZNZBONOZZVUASX-UHFFFAOYSA-N
MW312.33 g/mol
LogP2.29
Rot. Bonds4

About ethyl 2-(2-methoxy-4-pyridinyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxylate

ethyl 2-(2-methoxy-4-pyridinyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxylate (PubChem CID 131988114) has the molecular formula C16H16N4O3 and a molecular weight of 312.33 g/mol. Its IUPAC name is ethyl 2-(2-methoxy-4-pyridinyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxylate.

Molecular Properties

Compound Nameethyl 2-(2-methoxy-4-pyridinyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxylate
PubChem CID131988114
Molecular FormulaC16H16N4O3
Molecular Weight312.33 g/mol
Exact Mass312.12
IUPAC Nameethyl 2-(2-methoxy-4-pyridinyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxylate
SMILESCCOC(=O)c1ncn2c(C)cc(-c3ccnc(OC)c3)nc12
InChIInChI=1S/C16H16N4O3/c1-4-23-16(21)14-15-19-12(7-10(2)20(15)9-18-14)11-5-6-17-13(8-11)22-3/h5-9H,4H2,1-3H3
InChIKeyZNZBONOZZVUASX-UHFFFAOYSA-N
XLogP2.29
TPSA78.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-methoxy-4-pyridinyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxylate?
The IUPAC name of ethyl 2-(2-methoxy-4-pyridinyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxylate (CID 131988114) is ethyl 2-(2-methoxy-4-pyridinyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxylate.
What is the SMILES notation for ethyl 2-(2-methoxy-4-pyridinyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxylate?
The canonical SMILES for ethyl 2-(2-methoxy-4-pyridinyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxylate is CCOC(=O)c1ncn2c(C)cc(-c3ccnc(OC)c3)nc12.
What is the InChIKey of ethyl 2-(2-methoxy-4-pyridinyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxylate?
The InChIKey is ZNZBONOZZVUASX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O3/c1-4-23-16(21)14-15-19-12(7-10(2)20(15)9-18-14)11-5-6-17-13(8-11)22-3/h5-9H,4H2,1-3H3.
What are the key properties of ethyl 2-(2-methoxy-4-pyridinyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxylate?
ethyl 2-(2-methoxy-4-pyridinyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxylate has a molecular weight of 312.33 g/mol, XLogP of 2.29, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-methoxy-4-pyridinyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxylate is sourced from PubChem (CID 131988114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).