(6R,8aS)-8a-(2,4-difluorophenyl)-6-(4-methylpyrimidin-2-yl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-amine

C18H18F2N4OS — CID 91819732

IUPAC(6R,8aS)-8a-(2,4-difluorophenyl)-6-(4-methylpyrimidin-2-yl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-amine
SMILESCc1ccnc([C@H]2CC3CSC(N)=N[C@@]3(c3ccc(F)cc3F)CO2)n1
InChIInChI=1S/C18H18F2N4OS/c1-10-4-5-22-16(23-10)15-6-11-8-26-17(21)24-18(11,9-25-15)13-3-2-12(19)7-14(13)20/h2-5,7,11,15H,6,8-9H2,1H3,(H2,21,24)/t11?,15-,18+/m1/s1
InChIKeyLWHGNBWGPDYQSC-HLSDDEKHSA-N
MW376.43 g/mol
LogP3.10
Rot. Bonds2

About (6R,8aS)-8a-(2,4-difluorophenyl)-6-(4-methylpyrimidin-2-yl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-amine

(6R,8aS)-8a-(2,4-difluorophenyl)-6-(4-methylpyrimidin-2-yl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-amine (PubChem CID 91819732) has the molecular formula C18H18F2N4OS and a molecular weight of 376.43 g/mol. Its IUPAC name is (6R,8aS)-8a-(2,4-difluorophenyl)-6-(4-methylpyrimidin-2-yl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-amine.

Molecular Properties

Compound Name(6R,8aS)-8a-(2,4-difluorophenyl)-6-(4-methylpyrimidin-2-yl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-amine
PubChem CID91819732
Molecular FormulaC18H18F2N4OS
Molecular Weight376.43 g/mol
Exact Mass376.12
IUPAC Name(6R,8aS)-8a-(2,4-difluorophenyl)-6-(4-methylpyrimidin-2-yl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-amine
SMILESCc1ccnc([C@H]2CC3CSC(N)=N[C@@]3(c3ccc(F)cc3F)CO2)n1
InChIInChI=1S/C18H18F2N4OS/c1-10-4-5-22-16(23-10)15-6-11-8-26-17(21)24-18(11,9-25-15)13-3-2-12(19)7-14(13)20/h2-5,7,11,15H,6,8-9H2,1H3,(H2,21,24)/t11?,15-,18+/m1/s1
InChIKeyLWHGNBWGPDYQSC-HLSDDEKHSA-N
XLogP3.10
TPSA73.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.43
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (6R,8aS)-8a-(2,4-difluorophenyl)-6-(4-methylpyrimidin-2-yl)-4a,5,6,8-tetrahydro-4H-pyrano[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

Related Compounds

(4aR,6R,8aS)-8a-(2,4-difluorophenyl)-6-(5-methylpyrimidin-2-yl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-amine
CID 72543978
(4aR,6R,8aS)-8a-(2,4-difluorophenyl)-6-(5-fluoropyrimidin-2-yl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-amine
CID 72543979
(4aR,6R,8aS)-8a-(2,4-difluorophenyl)-6-pyrimidin-4-yl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-amine
CID 72547574
(4aR,6R,8aS)-8a-(2,4-difluorophenyl)-6-pyrimidin-2-yl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-amine
CID 72547575
(4aR,6R,8aS)-8a-(2,4-difluorophenyl)-6-(5-fluoro-2-pyridinyl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-amine
CID 86343144
(4aR,6R,8aS)-8a-(2,4-difluorophenyl)-6-(5-methoxypyrimidin-2-yl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-amine
CID 86343334
(4aR,6R,8aS)-8a-(2,4-difluorophenyl)-6-(2-methyl-4-pyridinyl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-amine
CID 86343339
(6R,8aS)-8a-(2,4-difluorophenyl)-6-(2-methylpyrimidin-4-yl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-amine
CID 91819730
(4aR,6R,8aS)-8a-(2-fluorophenyl)-6-(pyrimidin-2-yloxymethyl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-amine
CID 71268744
(4R,4aR,8aS)-8a-(2-fluoro-5-pyrimidin-5-ylphenyl)-4-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-amine
CID 71277799
(4aR,6R,8aS)-8a-(2,4-difluorophenyl)-6-(2-methylpyrimidin-5-yl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-amine
CID 86343335
(4aR,6R,8aS)-8a-(2,4-difluorophenyl)-6-pyrimidin-5-yl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-amine
CID 86343336

Frequently Asked Questions

What is the IUPAC name of (6R,8aS)-8a-(2,4-difluorophenyl)-6-(4-methylpyrimidin-2-yl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-amine?
The IUPAC name of (6R,8aS)-8a-(2,4-difluorophenyl)-6-(4-methylpyrimidin-2-yl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-amine (CID 91819732) is (6R,8aS)-8a-(2,4-difluorophenyl)-6-(4-methylpyrimidin-2-yl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-amine.
What is the SMILES notation for (6R,8aS)-8a-(2,4-difluorophenyl)-6-(4-methylpyrimidin-2-yl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-amine?
The canonical SMILES for (6R,8aS)-8a-(2,4-difluorophenyl)-6-(4-methylpyrimidin-2-yl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-amine is Cc1ccnc([C@H]2CC3CSC(N)=N[C@@]3(c3ccc(F)cc3F)CO2)n1.
What is the InChIKey of (6R,8aS)-8a-(2,4-difluorophenyl)-6-(4-methylpyrimidin-2-yl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-amine?
The InChIKey is LWHGNBWGPDYQSC-HLSDDEKHSA-N. The full InChI is InChI=1S/C18H18F2N4OS/c1-10-4-5-22-16(23-10)15-6-11-8-26-17(21)24-18(11,9-25-15)13-3-2-12(19)7-14(13)20/h2-5,7,11,15H,6,8-9H2,1H3,(H2,21,24)/t11?,15-,18+/m1/s1.
What are the key properties of (6R,8aS)-8a-(2,4-difluorophenyl)-6-(4-methylpyrimidin-2-yl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-amine?
(6R,8aS)-8a-(2,4-difluorophenyl)-6-(4-methylpyrimidin-2-yl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-amine has a molecular weight of 376.43 g/mol, XLogP of 3.10, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6R,8aS)-8a-(2,4-difluorophenyl)-6-(4-methylpyrimidin-2-yl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-amine is sourced from PubChem (CID 91819732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).