1-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2,2,2-trifluoroethanone

C10H10F3N3O — CID 153277586

IUPAC1-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2,2,2-trifluoroethanone
SMILESCCc1ncc2c(n1)CN(C(=O)C(F)(F)F)C2
InChIInChI=1S/C10H10F3N3O/c1-2-8-14-3-6-4-16(5-7(6)15-8)9(17)10(11,12)13/h3H,2,4-5H2,1H3
InChIKeyCVCUFFLGXFFGCS-UHFFFAOYSA-N
MW245.20 g/mol
LogP1.44
Rot. Bonds1

About 1-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2,2,2-trifluoroethanone

1-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2,2,2-trifluoroethanone (PubChem CID 153277586) has the molecular formula C10H10F3N3O and a molecular weight of 245.20 g/mol. Its IUPAC name is 1-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2,2,2-trifluoroethanone.

Molecular Properties

Compound Name1-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2,2,2-trifluoroethanone
PubChem CID153277586
Molecular FormulaC10H10F3N3O
Molecular Weight245.20 g/mol
Exact Mass245.08
IUPAC Name1-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2,2,2-trifluoroethanone
SMILESCCc1ncc2c(n1)CN(C(=O)C(F)(F)F)C2
InChIInChI=1S/C10H10F3N3O/c1-2-8-14-3-6-4-16(5-7(6)15-8)9(17)10(11,12)13/h3H,2,4-5H2,1H3
InChIKeyCVCUFFLGXFFGCS-UHFFFAOYSA-N
XLogP1.44
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.20
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2,2,2-trifluoroethanone?
The IUPAC name of 1-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2,2,2-trifluoroethanone (CID 153277586) is 1-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2,2,2-trifluoroethanone.
What is the SMILES notation for 1-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2,2,2-trifluoroethanone?
The canonical SMILES for 1-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2,2,2-trifluoroethanone is CCc1ncc2c(n1)CN(C(=O)C(F)(F)F)C2.
What is the InChIKey of 1-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2,2,2-trifluoroethanone?
The InChIKey is CVCUFFLGXFFGCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N3O/c1-2-8-14-3-6-4-16(5-7(6)15-8)9(17)10(11,12)13/h3H,2,4-5H2,1H3.
What are the key properties of 1-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2,2,2-trifluoroethanone?
1-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2,2,2-trifluoroethanone has a molecular weight of 245.20 g/mol, XLogP of 1.44, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2,2,2-trifluoroethanone is sourced from PubChem (CID 153277586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).