3,7-dimethyl-2-(trifluoromethyl)pyrimido[1,2-a]pyrimidin-4-one

C10H8F3N3O — CID 59284044

IUPAC3,7-dimethyl-2-(trifluoromethyl)pyrimido[1,2-a]pyrimidin-4-one
SMILESCc1cnc2nc(C(F)(F)F)c(C)c(=O)n2c1
InChIInChI=1S/C10H8F3N3O/c1-5-3-14-9-15-7(10(11,12)13)6(2)8(17)16(9)4-5/h3-4H,1-2H3
InChIKeyMEQLLGDIWWUYCB-UHFFFAOYSA-N
MW243.19 g/mol
LogP1.73
Rot. Bonds

About 3,7-dimethyl-2-(trifluoromethyl)pyrimido[1,2-a]pyrimidin-4-one

3,7-dimethyl-2-(trifluoromethyl)pyrimido[1,2-a]pyrimidin-4-one (PubChem CID 59284044) has the molecular formula C10H8F3N3O and a molecular weight of 243.19 g/mol. Its IUPAC name is 3,7-dimethyl-2-(trifluoromethyl)pyrimido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name3,7-dimethyl-2-(trifluoromethyl)pyrimido[1,2-a]pyrimidin-4-one
PubChem CID59284044
Molecular FormulaC10H8F3N3O
Molecular Weight243.19 g/mol
Exact Mass243.06
IUPAC Name3,7-dimethyl-2-(trifluoromethyl)pyrimido[1,2-a]pyrimidin-4-one
SMILESCc1cnc2nc(C(F)(F)F)c(C)c(=O)n2c1
InChIInChI=1S/C10H8F3N3O/c1-5-3-14-9-15-7(10(11,12)13)6(2)8(17)16(9)4-5/h3-4H,1-2H3
InChIKeyMEQLLGDIWWUYCB-UHFFFAOYSA-N
XLogP1.73
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.19
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,7-dimethyl-2-(trifluoromethyl)pyrimido[1,2-a]pyrimidin-4-one?
The IUPAC name of 3,7-dimethyl-2-(trifluoromethyl)pyrimido[1,2-a]pyrimidin-4-one (CID 59284044) is 3,7-dimethyl-2-(trifluoromethyl)pyrimido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 3,7-dimethyl-2-(trifluoromethyl)pyrimido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 3,7-dimethyl-2-(trifluoromethyl)pyrimido[1,2-a]pyrimidin-4-one is Cc1cnc2nc(C(F)(F)F)c(C)c(=O)n2c1.
What is the InChIKey of 3,7-dimethyl-2-(trifluoromethyl)pyrimido[1,2-a]pyrimidin-4-one?
The InChIKey is MEQLLGDIWWUYCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3N3O/c1-5-3-14-9-15-7(10(11,12)13)6(2)8(17)16(9)4-5/h3-4H,1-2H3.
What are the key properties of 3,7-dimethyl-2-(trifluoromethyl)pyrimido[1,2-a]pyrimidin-4-one?
3,7-dimethyl-2-(trifluoromethyl)pyrimido[1,2-a]pyrimidin-4-one has a molecular weight of 243.19 g/mol, XLogP of 1.73, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dimethyl-2-(trifluoromethyl)pyrimido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 59284044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).