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

C11H13F3N4 — CID 63226911

IUPAC5,6-dimethyl-7-(3,3,3-trifluoropropyl)pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCc1c(C)n(CCC(F)(F)F)c2ncnc(N)c12
InChIInChI=1S/C11H13F3N4/c1-6-7(2)18(4-3-11(12,13)14)10-8(6)9(15)16-5-17-10/h5H,3-4H2,1-2H3,(H2,15,16,17)
InChIKeyHFLUITOUDMAPPN-UHFFFAOYSA-N
MW258.25 g/mol
LogP2.58
Rot. Bonds2

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

5,6-dimethyl-7-(3,3,3-trifluoropropyl)pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 63226911) has the molecular formula C11H13F3N4 and a molecular weight of 258.25 g/mol. Its IUPAC name is 5,6-dimethyl-7-(3,3,3-trifluoropropyl)pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5,6-dimethyl-7-(3,3,3-trifluoropropyl)pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID63226911
Molecular FormulaC11H13F3N4
Molecular Weight258.25 g/mol
Exact Mass258.11
IUPAC Name5,6-dimethyl-7-(3,3,3-trifluoropropyl)pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCc1c(C)n(CCC(F)(F)F)c2ncnc(N)c12
InChIInChI=1S/C11H13F3N4/c1-6-7(2)18(4-3-11(12,13)14)10-8(6)9(15)16-5-17-10/h5H,3-4H2,1-2H3,(H2,15,16,17)
InChIKeyHFLUITOUDMAPPN-UHFFFAOYSA-N
XLogP2.58
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.25
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-7-(3,3,3-trifluoropropyl)pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5,6-dimethyl-7-(3,3,3-trifluoropropyl)pyrrolo[2,3-d]pyrimidin-4-amine (CID 63226911) is 5,6-dimethyl-7-(3,3,3-trifluoropropyl)pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5,6-dimethyl-7-(3,3,3-trifluoropropyl)pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5,6-dimethyl-7-(3,3,3-trifluoropropyl)pyrrolo[2,3-d]pyrimidin-4-amine is Cc1c(C)n(CCC(F)(F)F)c2ncnc(N)c12.
What is the InChIKey of 5,6-dimethyl-7-(3,3,3-trifluoropropyl)pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is HFLUITOUDMAPPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N4/c1-6-7(2)18(4-3-11(12,13)14)10-8(6)9(15)16-5-17-10/h5H,3-4H2,1-2H3,(H2,15,16,17).
What are the key properties of 5,6-dimethyl-7-(3,3,3-trifluoropropyl)pyrrolo[2,3-d]pyrimidin-4-amine?
5,6-dimethyl-7-(3,3,3-trifluoropropyl)pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 258.25 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-7-(3,3,3-trifluoropropyl)pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 63226911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).