5-fluoro-2-(2-fluoro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-amine

C13H7F2N7S — CID 148720102

IUPAC5-fluoro-2-(2-fluoro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-amine
SMILESNc1nc(-c2c[nH]c3ncc(F)nc23)nc(-c2nccs2)c1F
InChIInChI=1S/C13H7F2N7S/c14-6-4-19-12-8(20-6)5(3-18-12)11-21-9(7(15)10(16)22-11)13-17-1-2-23-13/h1-4H,(H,18,19)(H2,16,21,22)
InChIKeyNYXMCZSHHBGBQB-UHFFFAOYSA-N
MW331.31 g/mol
LogP2.40
Rot. Bonds2

About 5-fluoro-2-(2-fluoro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-amine

5-fluoro-2-(2-fluoro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-amine (PubChem CID 148720102) has the molecular formula C13H7F2N7S and a molecular weight of 331.31 g/mol. Its IUPAC name is 5-fluoro-2-(2-fluoro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-fluoro-2-(2-fluoro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-amine
PubChem CID148720102
Molecular FormulaC13H7F2N7S
Molecular Weight331.31 g/mol
Exact Mass331.05
IUPAC Name5-fluoro-2-(2-fluoro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-amine
SMILESNc1nc(-c2c[nH]c3ncc(F)nc23)nc(-c2nccs2)c1F
InChIInChI=1S/C13H7F2N7S/c14-6-4-19-12-8(20-6)5(3-18-12)11-21-9(7(15)10(16)22-11)13-17-1-2-23-13/h1-4H,(H,18,19)(H2,16,21,22)
InChIKeyNYXMCZSHHBGBQB-UHFFFAOYSA-N
XLogP2.40
TPSA106.26 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.31
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(2-fluoro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-amine?
The IUPAC name of 5-fluoro-2-(2-fluoro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-amine (CID 148720102) is 5-fluoro-2-(2-fluoro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-amine.
What is the SMILES notation for 5-fluoro-2-(2-fluoro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-amine?
The canonical SMILES for 5-fluoro-2-(2-fluoro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-amine is Nc1nc(-c2c[nH]c3ncc(F)nc23)nc(-c2nccs2)c1F.
What is the InChIKey of 5-fluoro-2-(2-fluoro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-amine?
The InChIKey is NYXMCZSHHBGBQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7F2N7S/c14-6-4-19-12-8(20-6)5(3-18-12)11-21-9(7(15)10(16)22-11)13-17-1-2-23-13/h1-4H,(H,18,19)(H2,16,21,22).
What are the key properties of 5-fluoro-2-(2-fluoro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-amine?
5-fluoro-2-(2-fluoro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-amine has a molecular weight of 331.31 g/mol, XLogP of 2.40, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(2-fluoro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-amine is sourced from PubChem (CID 148720102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).