(2-ethylimidazo[1,2-a]pyrimidin-3-yl)-[4-methoxy-5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methanone

C17H16F3N3O2 — CID 155328033

IUPAC(2-ethylimidazo[1,2-a]pyrimidin-3-yl)-[4-methoxy-5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methanone
SMILESCCc1nc2ncccn2c1C(=O)C1C=CC(OC)=C(C(F)(F)F)C1
InChIInChI=1S/C17H16F3N3O2/c1-3-12-14(23-8-4-7-21-16(23)22-12)15(24)10-5-6-13(25-2)11(9-10)17(18,19)20/h4-8,10H,3,9H2,1-2H3
InChIKeyRYOOYNYVLVKQKW-UHFFFAOYSA-N
MW351.33 g/mol
LogP3.51
Rot. Bonds4

About (2-ethylimidazo[1,2-a]pyrimidin-3-yl)-[4-methoxy-5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methanone

(2-ethylimidazo[1,2-a]pyrimidin-3-yl)-[4-methoxy-5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methanone (PubChem CID 155328033) has the molecular formula C17H16F3N3O2 and a molecular weight of 351.33 g/mol. Its IUPAC name is (2-ethylimidazo[1,2-a]pyrimidin-3-yl)-[4-methoxy-5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methanone.

Molecular Properties

Compound Name(2-ethylimidazo[1,2-a]pyrimidin-3-yl)-[4-methoxy-5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methanone
PubChem CID155328033
Molecular FormulaC17H16F3N3O2
Molecular Weight351.33 g/mol
Exact Mass351.12
IUPAC Name(2-ethylimidazo[1,2-a]pyrimidin-3-yl)-[4-methoxy-5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methanone
SMILESCCc1nc2ncccn2c1C(=O)C1C=CC(OC)=C(C(F)(F)F)C1
InChIInChI=1S/C17H16F3N3O2/c1-3-12-14(23-8-4-7-21-16(23)22-12)15(24)10-5-6-13(25-2)11(9-10)17(18,19)20/h4-8,10H,3,9H2,1-2H3
InChIKeyRYOOYNYVLVKQKW-UHFFFAOYSA-N
XLogP3.51
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.33
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-ethylimidazo[1,2-a]pyrimidin-3-yl)-[4-methoxy-5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methanone?
The IUPAC name of (2-ethylimidazo[1,2-a]pyrimidin-3-yl)-[4-methoxy-5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methanone (CID 155328033) is (2-ethylimidazo[1,2-a]pyrimidin-3-yl)-[4-methoxy-5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methanone.
What is the SMILES notation for (2-ethylimidazo[1,2-a]pyrimidin-3-yl)-[4-methoxy-5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methanone?
The canonical SMILES for (2-ethylimidazo[1,2-a]pyrimidin-3-yl)-[4-methoxy-5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methanone is CCc1nc2ncccn2c1C(=O)C1C=CC(OC)=C(C(F)(F)F)C1.
What is the InChIKey of (2-ethylimidazo[1,2-a]pyrimidin-3-yl)-[4-methoxy-5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methanone?
The InChIKey is RYOOYNYVLVKQKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N3O2/c1-3-12-14(23-8-4-7-21-16(23)22-12)15(24)10-5-6-13(25-2)11(9-10)17(18,19)20/h4-8,10H,3,9H2,1-2H3.
What are the key properties of (2-ethylimidazo[1,2-a]pyrimidin-3-yl)-[4-methoxy-5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methanone?
(2-ethylimidazo[1,2-a]pyrimidin-3-yl)-[4-methoxy-5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methanone has a molecular weight of 351.33 g/mol, XLogP of 3.51, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylimidazo[1,2-a]pyrimidin-3-yl)-[4-methoxy-5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methanone is sourced from PubChem (CID 155328033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).