5,5-dimethyl-4-(2,2,2-trifluoroethylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-one

C10H11F3N4O — CID 141366505

IUPAC5,5-dimethyl-4-(2,2,2-trifluoroethylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-one
SMILESCC1(C)C(=O)Nc2ncnc(NCC(F)(F)F)c21
InChIInChI=1S/C10H11F3N4O/c1-9(2)5-6(14-3-10(11,12)13)15-4-16-7(5)17-8(9)18/h4H,3H2,1-2H3,(H2,14,15,16,17,18)
InChIKeyKGFYAIJSATYFFW-UHFFFAOYSA-N
MW260.22 g/mol
LogP1.68
Rot. Bonds2

About 5,5-dimethyl-4-(2,2,2-trifluoroethylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-one

5,5-dimethyl-4-(2,2,2-trifluoroethylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-one (PubChem CID 141366505) has the molecular formula C10H11F3N4O and a molecular weight of 260.22 g/mol. Its IUPAC name is 5,5-dimethyl-4-(2,2,2-trifluoroethylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-one.

Molecular Properties

Compound Name5,5-dimethyl-4-(2,2,2-trifluoroethylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-one
PubChem CID141366505
Molecular FormulaC10H11F3N4O
Molecular Weight260.22 g/mol
Exact Mass260.09
IUPAC Name5,5-dimethyl-4-(2,2,2-trifluoroethylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-one
SMILESCC1(C)C(=O)Nc2ncnc(NCC(F)(F)F)c21
InChIInChI=1S/C10H11F3N4O/c1-9(2)5-6(14-3-10(11,12)13)15-4-16-7(5)17-8(9)18/h4H,3H2,1-2H3,(H2,14,15,16,17,18)
InChIKeyKGFYAIJSATYFFW-UHFFFAOYSA-N
XLogP1.68
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.22
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5,5-dimethyl-4-(2,2,2-trifluoroethylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-one with MolForge

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Related Compounds

4-chloro-5,5-difluoro-5H,6H,7H-pyrrolo(2,3-d)pyrimidin-6-one
CID 126970390
4-Amino-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one
CID 20111771
2-isopropylamino-5,6-dihydro-7-methyl-6-oxo(7H)pyrrolo[2,3-d]pyrimidine
CID 3078645
4-amino-5,5-dimethyl-2-(4,4,5,5,5-pentafluoropentyl)-7H-pyrrolo[2,3-d]pyrimidin-6-one
CID 58425692
2-(Trifluoromethyl)-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one
CID 90374937
5-(Trifluoromethyl)-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one
CID 130297085
4-(3,3,3-Trifluoropropylamino)-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one
CID 141366504
5,5-dimethyl-4-(3,3,3-trifluoropropylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-one
CID 141366508
2-(3,3,3-Trifluoropropylamino)-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one
CID 144690089
2-(Trifluoromethyl)-4-(3,3,3-trifluoropropylamino)-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one
CID 153361639
5,5-Difluoro-4-methyl-2,7,9,11-tetrazatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-trien-3-one
CID 163455806
5,5-Difluoro-4,10-dimethyl-2,7,9,11-tetrazatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-trien-3-one
CID 169021029

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-4-(2,2,2-trifluoroethylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-one?
The IUPAC name of 5,5-dimethyl-4-(2,2,2-trifluoroethylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-one (CID 141366505) is 5,5-dimethyl-4-(2,2,2-trifluoroethylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-one.
What is the SMILES notation for 5,5-dimethyl-4-(2,2,2-trifluoroethylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-one?
The canonical SMILES for 5,5-dimethyl-4-(2,2,2-trifluoroethylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-one is CC1(C)C(=O)Nc2ncnc(NCC(F)(F)F)c21.
What is the InChIKey of 5,5-dimethyl-4-(2,2,2-trifluoroethylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-one?
The InChIKey is KGFYAIJSATYFFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N4O/c1-9(2)5-6(14-3-10(11,12)13)15-4-16-7(5)17-8(9)18/h4H,3H2,1-2H3,(H2,14,15,16,17,18).
What are the key properties of 5,5-dimethyl-4-(2,2,2-trifluoroethylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-one?
5,5-dimethyl-4-(2,2,2-trifluoroethylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-one has a molecular weight of 260.22 g/mol, XLogP of 1.68, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-4-(2,2,2-trifluoroethylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-one is sourced from PubChem (CID 141366505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).