6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine

C7H5F3N4 — CID 155187397

IUPAC6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESNc1ncnc2[nH]c(C(F)(F)F)cc12
InChIInChI=1S/C7H5F3N4/c8-7(9,10)4-1-3-5(11)12-2-13-6(3)14-4/h1-2H,(H3,11,12,13,14)
InChIKeyCVFBBKYCJKRZEY-UHFFFAOYSA-N
MW202.14 g/mol
LogP1.56
Rot. Bonds

About 6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine

6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 155187397) has the molecular formula C7H5F3N4 and a molecular weight of 202.14 g/mol. Its IUPAC name is 6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID155187397
Molecular FormulaC7H5F3N4
Molecular Weight202.14 g/mol
Exact Mass202.05
IUPAC Name6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESNc1ncnc2[nH]c(C(F)(F)F)cc12
InChIInChI=1S/C7H5F3N4/c8-7(9,10)4-1-3-5(11)12-2-13-6(3)14-4/h1-2H,(H3,11,12,13,14)
InChIKeyCVFBBKYCJKRZEY-UHFFFAOYSA-N
XLogP1.56
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.14
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine (CID 155187397) is 6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine is Nc1ncnc2[nH]c(C(F)(F)F)cc12.
What is the InChIKey of 6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is CVFBBKYCJKRZEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F3N4/c8-7(9,10)4-1-3-5(11)12-2-13-6(3)14-4/h1-2H,(H3,11,12,13,14).
What are the key properties of 6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 202.14 g/mol, XLogP of 1.56, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 155187397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).