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

C10H12FN5S — CID 175765632

IUPAC(4aR)-6-(5-fluoropyrimidin-2-yl)-4,4a,5,7-tetrahydro-2H-pyrrolo[3,4-d][1,3]thiazin-2-amine
SMILESNC1N=C2CN(c3ncc(F)cn3)C[C@H]2CS1
InChIInChI=1S/C10H12FN5S/c11-7-1-13-10(14-2-7)16-3-6-5-17-9(12)15-8(6)4-16/h1-2,6,9H,3-5,12H2/t6-,9?/m0/s1
InChIKeyUOPOFRSJGWPCGF-AADKRJSRSA-N
MW253.31 g/mol
LogP0.48
Rot. Bonds1

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

(4aR)-6-(5-fluoropyrimidin-2-yl)-4,4a,5,7-tetrahydro-2H-pyrrolo[3,4-d][1,3]thiazin-2-amine (PubChem CID 175765632) has the molecular formula C10H12FN5S and a molecular weight of 253.31 g/mol. Its IUPAC name is (4aR)-6-(5-fluoropyrimidin-2-yl)-4,4a,5,7-tetrahydro-2H-pyrrolo[3,4-d][1,3]thiazin-2-amine.

Molecular Properties

Compound Name(4aR)-6-(5-fluoropyrimidin-2-yl)-4,4a,5,7-tetrahydro-2H-pyrrolo[3,4-d][1,3]thiazin-2-amine
PubChem CID175765632
Molecular FormulaC10H12FN5S
Molecular Weight253.31 g/mol
Exact Mass253.08
IUPAC Name(4aR)-6-(5-fluoropyrimidin-2-yl)-4,4a,5,7-tetrahydro-2H-pyrrolo[3,4-d][1,3]thiazin-2-amine
SMILESNC1N=C2CN(c3ncc(F)cn3)C[C@H]2CS1
InChIInChI=1S/C10H12FN5S/c11-7-1-13-10(14-2-7)16-3-6-5-17-9(12)15-8(6)4-16/h1-2,6,9H,3-5,12H2/t6-,9?/m0/s1
InChIKeyUOPOFRSJGWPCGF-AADKRJSRSA-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

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Frequently Asked Questions

What is the IUPAC name of (4aR)-6-(5-fluoropyrimidin-2-yl)-4,4a,5,7-tetrahydro-2H-pyrrolo[3,4-d][1,3]thiazin-2-amine?
The IUPAC name of (4aR)-6-(5-fluoropyrimidin-2-yl)-4,4a,5,7-tetrahydro-2H-pyrrolo[3,4-d][1,3]thiazin-2-amine (CID 175765632) is (4aR)-6-(5-fluoropyrimidin-2-yl)-4,4a,5,7-tetrahydro-2H-pyrrolo[3,4-d][1,3]thiazin-2-amine.
What is the SMILES notation for (4aR)-6-(5-fluoropyrimidin-2-yl)-4,4a,5,7-tetrahydro-2H-pyrrolo[3,4-d][1,3]thiazin-2-amine?
The canonical SMILES for (4aR)-6-(5-fluoropyrimidin-2-yl)-4,4a,5,7-tetrahydro-2H-pyrrolo[3,4-d][1,3]thiazin-2-amine is NC1N=C2CN(c3ncc(F)cn3)C[C@H]2CS1.
What is the InChIKey of (4aR)-6-(5-fluoropyrimidin-2-yl)-4,4a,5,7-tetrahydro-2H-pyrrolo[3,4-d][1,3]thiazin-2-amine?
The InChIKey is UOPOFRSJGWPCGF-AADKRJSRSA-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/h1-2,6,9H,3-5,12H2/t6-,9?/m0/s1.
What are the key properties of (4aR)-6-(5-fluoropyrimidin-2-yl)-4,4a,5,7-tetrahydro-2H-pyrrolo[3,4-d][1,3]thiazin-2-amine?
(4aR)-6-(5-fluoropyrimidin-2-yl)-4,4a,5,7-tetrahydro-2H-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 (4aR)-6-(5-fluoropyrimidin-2-yl)-4,4a,5,7-tetrahydro-2H-pyrrolo[3,4-d][1,3]thiazin-2-amine is sourced from PubChem (CID 175765632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).