2-chloro-N-(2,2,2-trifluoroethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine

C8H6ClF3N4 — CID 89366731

IUPAC2-chloro-N-(2,2,2-trifluoroethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESFC(F)(F)CNc1nc(Cl)nc2[nH]ccc12
InChIInChI=1S/C8H6ClF3N4/c9-7-15-5-4(1-2-13-5)6(16-7)14-3-8(10,11)12/h1-2H,3H2,(H2,13,14,15,16)
InChIKeyYAPJVEMMVZGSRS-UHFFFAOYSA-N
MW250.61 g/mol
LogP2.59
Rot. Bonds2

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

2-chloro-N-(2,2,2-trifluoroethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 89366731) has the molecular formula C8H6ClF3N4 and a molecular weight of 250.61 g/mol. Its IUPAC name is 2-chloro-N-(2,2,2-trifluoroethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-(2,2,2-trifluoroethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID89366731
Molecular FormulaC8H6ClF3N4
Molecular Weight250.61 g/mol
Exact Mass250.02
IUPAC Name2-chloro-N-(2,2,2-trifluoroethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESFC(F)(F)CNc1nc(Cl)nc2[nH]ccc12
InChIInChI=1S/C8H6ClF3N4/c9-7-15-5-4(1-2-13-5)6(16-7)14-3-8(10,11)12/h1-2H,3H2,(H2,13,14,15,16)
InChIKeyYAPJVEMMVZGSRS-UHFFFAOYSA-N
XLogP2.59
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.61
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-chloro-N-(2,2,2-trifluoroethyl)-7H-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 2-chloro-N-(2,2,2-trifluoroethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-chloro-N-(2,2,2-trifluoroethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine (CID 89366731) is 2-chloro-N-(2,2,2-trifluoroethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-(2,2,2-trifluoroethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-(2,2,2-trifluoroethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine is FC(F)(F)CNc1nc(Cl)nc2[nH]ccc12.
What is the InChIKey of 2-chloro-N-(2,2,2-trifluoroethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is YAPJVEMMVZGSRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClF3N4/c9-7-15-5-4(1-2-13-5)6(16-7)14-3-8(10,11)12/h1-2H,3H2,(H2,13,14,15,16).
What are the key properties of 2-chloro-N-(2,2,2-trifluoroethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
2-chloro-N-(2,2,2-trifluoroethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 250.61 g/mol, XLogP of 2.59, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2,2,2-trifluoroethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 89366731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).