6-(5-fluoropyrimidin-2-yl)-4a,5,7,7a-tetrahydro-4H-pyrrolo[3,4-d][1,3]thiazin-2-amine

C10H12FN5S — CID 134591321

IUPAC6-(5-fluoropyrimidin-2-yl)-4a,5,7,7a-tetrahydro-4H-pyrrolo[3,4-d][1,3]thiazin-2-amine
SMILESNC1=NC2CN(c3ncc(F)cn3)CC2CS1
InChIInChI=1S/C10H12FN5S/c11-7-1-13-10(14-2-7)16-3-6-5-17-9(12)15-8(6)4-16/h1-2,6,8H,3-5H2,(H2,12,15)
InChIKeyJEOUIEQAKBODLI-UHFFFAOYSA-N
MW253.31 g/mol
LogP0.48
Rot. Bonds1

About 6-(5-fluoropyrimidin-2-yl)-4a,5,7,7a-tetrahydro-4H-pyrrolo[3,4-d][1,3]thiazin-2-amine

6-(5-fluoropyrimidin-2-yl)-4a,5,7,7a-tetrahydro-4H-pyrrolo[3,4-d][1,3]thiazin-2-amine (PubChem CID 134591321) has the molecular formula C10H12FN5S and a molecular weight of 253.31 g/mol. Its IUPAC name is 6-(5-fluoropyrimidin-2-yl)-4a,5,7,7a-tetrahydro-4H-pyrrolo[3,4-d][1,3]thiazin-2-amine.

Molecular Properties

Compound Name6-(5-fluoropyrimidin-2-yl)-4a,5,7,7a-tetrahydro-4H-pyrrolo[3,4-d][1,3]thiazin-2-amine
PubChem CID134591321
Molecular FormulaC10H12FN5S
Molecular Weight253.31 g/mol
Exact Mass253.08
IUPAC Name6-(5-fluoropyrimidin-2-yl)-4a,5,7,7a-tetrahydro-4H-pyrrolo[3,4-d][1,3]thiazin-2-amine
SMILESNC1=NC2CN(c3ncc(F)cn3)CC2CS1
InChIInChI=1S/C10H12FN5S/c11-7-1-13-10(14-2-7)16-3-6-5-17-9(12)15-8(6)4-16/h1-2,6,8H,3-5H2,(H2,12,15)
InChIKeyJEOUIEQAKBODLI-UHFFFAOYSA-N
XLogP0.48
TPSA67.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-(5-fluoropyrimidin-2-yl)-4a,5,7,7a-tetrahydro-4H-pyrrolo[3,4-d][1,3]thiazin-2-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 6-(5-fluoropyrimidin-2-yl)-4a,5,7,7a-tetrahydro-4H-pyrrolo[3,4-d][1,3]thiazin-2-amine?
The IUPAC name of 6-(5-fluoropyrimidin-2-yl)-4a,5,7,7a-tetrahydro-4H-pyrrolo[3,4-d][1,3]thiazin-2-amine (CID 134591321) is 6-(5-fluoropyrimidin-2-yl)-4a,5,7,7a-tetrahydro-4H-pyrrolo[3,4-d][1,3]thiazin-2-amine.
What is the SMILES notation for 6-(5-fluoropyrimidin-2-yl)-4a,5,7,7a-tetrahydro-4H-pyrrolo[3,4-d][1,3]thiazin-2-amine?
The canonical SMILES for 6-(5-fluoropyrimidin-2-yl)-4a,5,7,7a-tetrahydro-4H-pyrrolo[3,4-d][1,3]thiazin-2-amine is NC1=NC2CN(c3ncc(F)cn3)CC2CS1.
What is the InChIKey of 6-(5-fluoropyrimidin-2-yl)-4a,5,7,7a-tetrahydro-4H-pyrrolo[3,4-d][1,3]thiazin-2-amine?
The InChIKey is JEOUIEQAKBODLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FN5S/c11-7-1-13-10(14-2-7)16-3-6-5-17-9(12)15-8(6)4-16/h1-2,6,8H,3-5H2,(H2,12,15).
What are the key properties of 6-(5-fluoropyrimidin-2-yl)-4a,5,7,7a-tetrahydro-4H-pyrrolo[3,4-d][1,3]thiazin-2-amine?
6-(5-fluoropyrimidin-2-yl)-4a,5,7,7a-tetrahydro-4H-pyrrolo[3,4-d][1,3]thiazin-2-amine has a molecular weight of 253.31 g/mol, XLogP of 0.48, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-fluoropyrimidin-2-yl)-4a,5,7,7a-tetrahydro-4H-pyrrolo[3,4-d][1,3]thiazin-2-amine is sourced from PubChem (CID 134591321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).