2-fluoro-N-(1,3-thiazol-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine

C10H8FN5S — CID 134480897

IUPAC2-fluoro-N-(1,3-thiazol-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESFc1nc(NCc2nccs2)c2cc[nH]c2n1
InChIInChI=1S/C10H8FN5S/c11-10-15-8-6(1-2-13-8)9(16-10)14-5-7-12-3-4-17-7/h1-4H,5H2,(H2,13,14,15,16)
InChIKeyOUQLFCBFNMDCDE-UHFFFAOYSA-N
MW249.27 g/mol
LogP2.17
Rot. Bonds3

About 2-fluoro-N-(1,3-thiazol-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine

2-fluoro-N-(1,3-thiazol-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 134480897) has the molecular formula C10H8FN5S and a molecular weight of 249.27 g/mol. Its IUPAC name is 2-fluoro-N-(1,3-thiazol-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-fluoro-N-(1,3-thiazol-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID134480897
Molecular FormulaC10H8FN5S
Molecular Weight249.27 g/mol
Exact Mass249.05
IUPAC Name2-fluoro-N-(1,3-thiazol-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESFc1nc(NCc2nccs2)c2cc[nH]c2n1
InChIInChI=1S/C10H8FN5S/c11-10-15-8-6(1-2-13-8)9(16-10)14-5-7-12-3-4-17-7/h1-4H,5H2,(H2,13,14,15,16)
InChIKeyOUQLFCBFNMDCDE-UHFFFAOYSA-N
XLogP2.17
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-fluoro-N-(1,3-thiazol-2-ylmethyl)-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-fluoro-N-(1,3-thiazol-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-fluoro-N-(1,3-thiazol-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine (CID 134480897) is 2-fluoro-N-(1,3-thiazol-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-fluoro-N-(1,3-thiazol-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-fluoro-N-(1,3-thiazol-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine is Fc1nc(NCc2nccs2)c2cc[nH]c2n1.
What is the InChIKey of 2-fluoro-N-(1,3-thiazol-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is OUQLFCBFNMDCDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FN5S/c11-10-15-8-6(1-2-13-8)9(16-10)14-5-7-12-3-4-17-7/h1-4H,5H2,(H2,13,14,15,16).
What are the key properties of 2-fluoro-N-(1,3-thiazol-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
2-fluoro-N-(1,3-thiazol-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 249.27 g/mol, XLogP of 2.17, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(1,3-thiazol-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 134480897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).