2-methyl-1-prop-2-enyl-7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-5-one

C11H10F3N3O — CID 144837780

IUPAC2-methyl-1-prop-2-enyl-7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-5-one
SMILESC=CCn1c(C)cn2c(=O)cc(C(F)(F)F)nc12
InChIInChI=1S/C11H10F3N3O/c1-3-4-16-7(2)6-17-9(18)5-8(11(12,13)14)15-10(16)17/h3,5-6H,1,4H2,2H3
InChIKeyMKQJJXCHMGPZAF-UHFFFAOYSA-N
MW257.21 g/mol
LogP2.01
Rot. Bonds2

About 2-methyl-1-prop-2-enyl-7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-5-one

2-methyl-1-prop-2-enyl-7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-5-one (PubChem CID 144837780) has the molecular formula C11H10F3N3O and a molecular weight of 257.21 g/mol. Its IUPAC name is 2-methyl-1-prop-2-enyl-7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name2-methyl-1-prop-2-enyl-7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-5-one
PubChem CID144837780
Molecular FormulaC11H10F3N3O
Molecular Weight257.21 g/mol
Exact Mass257.08
IUPAC Name2-methyl-1-prop-2-enyl-7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-5-one
SMILESC=CCn1c(C)cn2c(=O)cc(C(F)(F)F)nc12
InChIInChI=1S/C11H10F3N3O/c1-3-4-16-7(2)6-17-9(18)5-8(11(12,13)14)15-10(16)17/h3,5-6H,1,4H2,2H3
InChIKeyMKQJJXCHMGPZAF-UHFFFAOYSA-N
XLogP2.01
TPSA39.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.21
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-prop-2-enyl-7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-5-one?
The IUPAC name of 2-methyl-1-prop-2-enyl-7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-5-one (CID 144837780) is 2-methyl-1-prop-2-enyl-7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-5-one.
What is the SMILES notation for 2-methyl-1-prop-2-enyl-7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-5-one?
The canonical SMILES for 2-methyl-1-prop-2-enyl-7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-5-one is C=CCn1c(C)cn2c(=O)cc(C(F)(F)F)nc12.
What is the InChIKey of 2-methyl-1-prop-2-enyl-7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-5-one?
The InChIKey is MKQJJXCHMGPZAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N3O/c1-3-4-16-7(2)6-17-9(18)5-8(11(12,13)14)15-10(16)17/h3,5-6H,1,4H2,2H3.
What are the key properties of 2-methyl-1-prop-2-enyl-7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-5-one?
2-methyl-1-prop-2-enyl-7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-5-one has a molecular weight of 257.21 g/mol, XLogP of 2.01, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-prop-2-enyl-7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-5-one is sourced from PubChem (CID 144837780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).