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

C7H5F3N4 — CID 151254482

IUPAC2-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESNc1nc(C(F)(F)F)nc2[nH]ccc12
InChIInChI=1S/C7H5F3N4/c8-7(9,10)6-13-4(11)3-1-2-12-5(3)14-6/h1-2H,(H3,11,12,13,14)
InChIKeyNTAOHQFJMQUYOZ-UHFFFAOYSA-N
MW202.14 g/mol
LogP1.56
Rot. Bonds

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

2-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 151254482) has the molecular formula C7H5F3N4 and a molecular weight of 202.14 g/mol. Its IUPAC name is 2-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID151254482
Molecular FormulaC7H5F3N4
Molecular Weight202.14 g/mol
Exact Mass202.05
IUPAC Name2-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESNc1nc(C(F)(F)F)nc2[nH]ccc12
InChIInChI=1S/C7H5F3N4/c8-7(9,10)6-13-4(11)3-1-2-12-5(3)14-6/h1-2H,(H3,11,12,13,14)
InChIKeyNTAOHQFJMQUYOZ-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 2-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine (CID 151254482) is 2-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine is Nc1nc(C(F)(F)F)nc2[nH]ccc12.
What is the InChIKey of 2-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is NTAOHQFJMQUYOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F3N4/c8-7(9,10)6-13-4(11)3-1-2-12-5(3)14-6/h1-2H,(H3,11,12,13,14).
What are the key properties of 2-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
2-(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 2-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 151254482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).