(2S)-4,4,4-trifluoro-2-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)butan-1-ol

C10H11F3N4O — CID 175667930

IUPAC(2S)-4,4,4-trifluoro-2-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)butan-1-ol
SMILESOC[C@H](CC(F)(F)F)Nc1ncnc2[nH]ccc12
InChIInChI=1S/C10H11F3N4O/c11-10(12,13)3-6(4-18)17-9-7-1-2-14-8(7)15-5-16-9/h1-2,5-6,18H,3-4H2,(H2,14,15,16,17)/t6-/m0/s1
InChIKeyZWWQDFOFILZJIQ-LURJTMIESA-N
MW260.22 g/mol
LogP1.68
Rot. Bonds4

About (2S)-4,4,4-trifluoro-2-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)butan-1-ol

(2S)-4,4,4-trifluoro-2-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)butan-1-ol (PubChem CID 175667930) has the molecular formula C10H11F3N4O and a molecular weight of 260.22 g/mol. Its IUPAC name is (2S)-4,4,4-trifluoro-2-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)butan-1-ol.

Molecular Properties

Compound Name(2S)-4,4,4-trifluoro-2-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)butan-1-ol
PubChem CID175667930
Molecular FormulaC10H11F3N4O
Molecular Weight260.22 g/mol
Exact Mass260.09
IUPAC Name(2S)-4,4,4-trifluoro-2-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)butan-1-ol
SMILESOC[C@H](CC(F)(F)F)Nc1ncnc2[nH]ccc12
InChIInChI=1S/C10H11F3N4O/c11-10(12,13)3-6(4-18)17-9-7-1-2-14-8(7)15-5-16-9/h1-2,5-6,18H,3-4H2,(H2,14,15,16,17)/t6-/m0/s1
InChIKeyZWWQDFOFILZJIQ-LURJTMIESA-N
XLogP1.68
TPSA73.83 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.22
LogP ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2S)-4,4,4-trifluoro-2-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)butan-1-ol 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 (2S)-4,4,4-trifluoro-2-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)butan-1-ol?
The IUPAC name of (2S)-4,4,4-trifluoro-2-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)butan-1-ol (CID 175667930) is (2S)-4,4,4-trifluoro-2-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)butan-1-ol.
What is the SMILES notation for (2S)-4,4,4-trifluoro-2-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)butan-1-ol?
The canonical SMILES for (2S)-4,4,4-trifluoro-2-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)butan-1-ol is OC[C@H](CC(F)(F)F)Nc1ncnc2[nH]ccc12.
What is the InChIKey of (2S)-4,4,4-trifluoro-2-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)butan-1-ol?
The InChIKey is ZWWQDFOFILZJIQ-LURJTMIESA-N. The full InChI is InChI=1S/C10H11F3N4O/c11-10(12,13)3-6(4-18)17-9-7-1-2-14-8(7)15-5-16-9/h1-2,5-6,18H,3-4H2,(H2,14,15,16,17)/t6-/m0/s1.
What are the key properties of (2S)-4,4,4-trifluoro-2-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)butan-1-ol?
(2S)-4,4,4-trifluoro-2-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)butan-1-ol has a molecular weight of 260.22 g/mol, XLogP of 1.68, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4,4,4-trifluoro-2-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)butan-1-ol is sourced from PubChem (CID 175667930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).