5,6-dimethyl-7-(2,2,2-trifluoroethyl)pyrrolo[2,3-d]pyrimidin-4-amine

C10H11F3N4 — CID 43159243

IUPAC5,6-dimethyl-7-(2,2,2-trifluoroethyl)pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCc1c(C)n(CC(F)(F)F)c2ncnc(N)c12
InChIInChI=1S/C10H11F3N4/c1-5-6(2)17(3-10(11,12)13)9-7(5)8(14)15-4-16-9/h4H,3H2,1-2H3,(H2,14,15,16)
InChIKeyFCMONLHYJVUNCD-UHFFFAOYSA-N
MW244.22 g/mol
LogP2.19
Rot. Bonds1

About 5,6-dimethyl-7-(2,2,2-trifluoroethyl)pyrrolo[2,3-d]pyrimidin-4-amine

5,6-dimethyl-7-(2,2,2-trifluoroethyl)pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 43159243) has the molecular formula C10H11F3N4 and a molecular weight of 244.22 g/mol. Its IUPAC name is 5,6-dimethyl-7-(2,2,2-trifluoroethyl)pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5,6-dimethyl-7-(2,2,2-trifluoroethyl)pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID43159243
Molecular FormulaC10H11F3N4
Molecular Weight244.22 g/mol
Exact Mass244.09
IUPAC Name5,6-dimethyl-7-(2,2,2-trifluoroethyl)pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCc1c(C)n(CC(F)(F)F)c2ncnc(N)c12
InChIInChI=1S/C10H11F3N4/c1-5-6(2)17(3-10(11,12)13)9-7(5)8(14)15-4-16-9/h4H,3H2,1-2H3,(H2,14,15,16)
InChIKeyFCMONLHYJVUNCD-UHFFFAOYSA-N
XLogP2.19
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.22
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5,6-dimethyl-7-(2,2,2-trifluoroethyl)pyrrolo[2,3-d]pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-7-(2,2,2-trifluoroethyl)pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5,6-dimethyl-7-(2,2,2-trifluoroethyl)pyrrolo[2,3-d]pyrimidin-4-amine (CID 43159243) is 5,6-dimethyl-7-(2,2,2-trifluoroethyl)pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5,6-dimethyl-7-(2,2,2-trifluoroethyl)pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5,6-dimethyl-7-(2,2,2-trifluoroethyl)pyrrolo[2,3-d]pyrimidin-4-amine is Cc1c(C)n(CC(F)(F)F)c2ncnc(N)c12.
What is the InChIKey of 5,6-dimethyl-7-(2,2,2-trifluoroethyl)pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is FCMONLHYJVUNCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N4/c1-5-6(2)17(3-10(11,12)13)9-7(5)8(14)15-4-16-9/h4H,3H2,1-2H3,(H2,14,15,16).
What are the key properties of 5,6-dimethyl-7-(2,2,2-trifluoroethyl)pyrrolo[2,3-d]pyrimidin-4-amine?
5,6-dimethyl-7-(2,2,2-trifluoroethyl)pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 244.22 g/mol, XLogP of 2.19, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-7-(2,2,2-trifluoroethyl)pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 43159243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).