6,8-dimethyl-2-(trifluoromethyl)imidazo[1,2-a]pyrimidin-7-one

C9H8F3N3O — CID 167206768

IUPAC6,8-dimethyl-2-(trifluoromethyl)imidazo[1,2-a]pyrimidin-7-one
SMILESCc1cn2cc(C(F)(F)F)nc2n(C)c1=O
InChIInChI=1S/C9H8F3N3O/c1-5-3-15-4-6(9(10,11)12)13-8(15)14(2)7(5)16/h3-4H,1-2H3
InChIKeyPGUNZKFVPZYYFW-UHFFFAOYSA-N
MW231.18 g/mol
LogP1.36
Rot. Bonds

About 6,8-dimethyl-2-(trifluoromethyl)imidazo[1,2-a]pyrimidin-7-one

6,8-dimethyl-2-(trifluoromethyl)imidazo[1,2-a]pyrimidin-7-one (PubChem CID 167206768) has the molecular formula C9H8F3N3O and a molecular weight of 231.18 g/mol. Its IUPAC name is 6,8-dimethyl-2-(trifluoromethyl)imidazo[1,2-a]pyrimidin-7-one.

Molecular Properties

Compound Name6,8-dimethyl-2-(trifluoromethyl)imidazo[1,2-a]pyrimidin-7-one
PubChem CID167206768
Molecular FormulaC9H8F3N3O
Molecular Weight231.18 g/mol
Exact Mass231.06
IUPAC Name6,8-dimethyl-2-(trifluoromethyl)imidazo[1,2-a]pyrimidin-7-one
SMILESCc1cn2cc(C(F)(F)F)nc2n(C)c1=O
InChIInChI=1S/C9H8F3N3O/c1-5-3-15-4-6(9(10,11)12)13-8(15)14(2)7(5)16/h3-4H,1-2H3
InChIKeyPGUNZKFVPZYYFW-UHFFFAOYSA-N
XLogP1.36
TPSA39.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.18
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6,8-dimethyl-2-(trifluoromethyl)imidazo[1,2-a]pyrimidin-7-one?
The IUPAC name of 6,8-dimethyl-2-(trifluoromethyl)imidazo[1,2-a]pyrimidin-7-one (CID 167206768) is 6,8-dimethyl-2-(trifluoromethyl)imidazo[1,2-a]pyrimidin-7-one.
What is the SMILES notation for 6,8-dimethyl-2-(trifluoromethyl)imidazo[1,2-a]pyrimidin-7-one?
The canonical SMILES for 6,8-dimethyl-2-(trifluoromethyl)imidazo[1,2-a]pyrimidin-7-one is Cc1cn2cc(C(F)(F)F)nc2n(C)c1=O.
What is the InChIKey of 6,8-dimethyl-2-(trifluoromethyl)imidazo[1,2-a]pyrimidin-7-one?
The InChIKey is PGUNZKFVPZYYFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3N3O/c1-5-3-15-4-6(9(10,11)12)13-8(15)14(2)7(5)16/h3-4H,1-2H3.
What are the key properties of 6,8-dimethyl-2-(trifluoromethyl)imidazo[1,2-a]pyrimidin-7-one?
6,8-dimethyl-2-(trifluoromethyl)imidazo[1,2-a]pyrimidin-7-one has a molecular weight of 231.18 g/mol, XLogP of 1.36, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dimethyl-2-(trifluoromethyl)imidazo[1,2-a]pyrimidin-7-one is sourced from PubChem (CID 167206768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).