2,3-dimethyl-6-(4,4,4-trifluorobutanoyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one

C12H14F3N3O2 — CID 86285964

IUPAC2,3-dimethyl-6-(4,4,4-trifluorobutanoyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one
SMILESCc1nc2c(c(=O)n1C)CN(C(=O)CCC(F)(F)F)C2
InChIInChI=1S/C12H14F3N3O2/c1-7-16-9-6-18(5-8(9)11(20)17(7)2)10(19)3-4-12(13,14)15/h3-6H2,1-2H3
InChIKeyUZUKBIPQRLZYDZ-UHFFFAOYSA-N
MW289.26 g/mol
LogP1.27
Rot. Bonds2

About 2,3-dimethyl-6-(4,4,4-trifluorobutanoyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one

2,3-dimethyl-6-(4,4,4-trifluorobutanoyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one (PubChem CID 86285964) has the molecular formula C12H14F3N3O2 and a molecular weight of 289.26 g/mol. Its IUPAC name is 2,3-dimethyl-6-(4,4,4-trifluorobutanoyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name2,3-dimethyl-6-(4,4,4-trifluorobutanoyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one
PubChem CID86285964
Molecular FormulaC12H14F3N3O2
Molecular Weight289.26 g/mol
Exact Mass289.10
IUPAC Name2,3-dimethyl-6-(4,4,4-trifluorobutanoyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one
SMILESCc1nc2c(c(=O)n1C)CN(C(=O)CCC(F)(F)F)C2
InChIInChI=1S/C12H14F3N3O2/c1-7-16-9-6-18(5-8(9)11(20)17(7)2)10(19)3-4-12(13,14)15/h3-6H2,1-2H3
InChIKeyUZUKBIPQRLZYDZ-UHFFFAOYSA-N
XLogP1.27
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.26
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2,3-dimethyl-6-(4,4,4-trifluorobutanoyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one with MolForge

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Related Compounds

7,8-dihydro-3-methyl-2-(trifluoromethyl)pyrrolo[1,2-alpha]pyrimidin-4(6H)-one
CID 59284210
2,3,5-Trimethyl-6-(trifluoromethyl)pyrimidin-4-one
CID 68986103
2-methyl-6-(2,2,2-trifluoroacetyl)-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one
CID 137308006
2-methyl-3-(2,2,2-trifluoroethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-one
CID 83895444
5-Ethyl-1,5,8-triazatricyclo[7.3.0.03,7]dodeca-3(7),8-dien-2-one
CID 118974124
5-Methyl-1,5,8-triazatricyclo[7.3.0.03,7]dodeca-3(7),8-dien-2-one
CID 118974363
6-Tert-butyl-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one
CID 132040867
6-Ethyl-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one
CID 132046289

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-6-(4,4,4-trifluorobutanoyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one?
The IUPAC name of 2,3-dimethyl-6-(4,4,4-trifluorobutanoyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one (CID 86285964) is 2,3-dimethyl-6-(4,4,4-trifluorobutanoyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 2,3-dimethyl-6-(4,4,4-trifluorobutanoyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one?
The canonical SMILES for 2,3-dimethyl-6-(4,4,4-trifluorobutanoyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one is Cc1nc2c(c(=O)n1C)CN(C(=O)CCC(F)(F)F)C2.
What is the InChIKey of 2,3-dimethyl-6-(4,4,4-trifluorobutanoyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one?
The InChIKey is UZUKBIPQRLZYDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N3O2/c1-7-16-9-6-18(5-8(9)11(20)17(7)2)10(19)3-4-12(13,14)15/h3-6H2,1-2H3.
What are the key properties of 2,3-dimethyl-6-(4,4,4-trifluorobutanoyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one?
2,3-dimethyl-6-(4,4,4-trifluorobutanoyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one has a molecular weight of 289.26 g/mol, XLogP of 1.27, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-6-(4,4,4-trifluorobutanoyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 86285964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).