(4aR,7aR)-7a-(3-pyrimidin-5-ylphenyl)-4,4a,6,7-tetrahydrofuro[3,2-d][1,3]thiazin-2-amine

C16H16N4OS — CID 86296204

IUPAC(4aR,7aR)-7a-(3-pyrimidin-5-ylphenyl)-4,4a,6,7-tetrahydrofuro[3,2-d][1,3]thiazin-2-amine
SMILESNC1=N[C@@]2(c3cccc(-c4cncnc4)c3)CCO[C@H]2CS1
InChIInChI=1S/C16H16N4OS/c17-15-20-16(4-5-21-14(16)9-22-15)13-3-1-2-11(6-13)12-7-18-10-19-8-12/h1-3,6-8,10,14H,4-5,9H2,(H2,17,20)/t14-,16+/m0/s1
InChIKeyXVUIWXUJXONGGG-GOEBONIOSA-N
MW312.40 g/mol
LogP2.19
Rot. Bonds2

About (4aR,7aR)-7a-(3-pyrimidin-5-ylphenyl)-4,4a,6,7-tetrahydrofuro[3,2-d][1,3]thiazin-2-amine

(4aR,7aR)-7a-(3-pyrimidin-5-ylphenyl)-4,4a,6,7-tetrahydrofuro[3,2-d][1,3]thiazin-2-amine (PubChem CID 86296204) has the molecular formula C16H16N4OS and a molecular weight of 312.40 g/mol. Its IUPAC name is (4aR,7aR)-7a-(3-pyrimidin-5-ylphenyl)-4,4a,6,7-tetrahydrofuro[3,2-d][1,3]thiazin-2-amine.

Molecular Properties

Compound Name(4aR,7aR)-7a-(3-pyrimidin-5-ylphenyl)-4,4a,6,7-tetrahydrofuro[3,2-d][1,3]thiazin-2-amine
PubChem CID86296204
Molecular FormulaC16H16N4OS
Molecular Weight312.40 g/mol
Exact Mass312.10
IUPAC Name(4aR,7aR)-7a-(3-pyrimidin-5-ylphenyl)-4,4a,6,7-tetrahydrofuro[3,2-d][1,3]thiazin-2-amine
SMILESNC1=N[C@@]2(c3cccc(-c4cncnc4)c3)CCO[C@H]2CS1
InChIInChI=1S/C16H16N4OS/c17-15-20-16(4-5-21-14(16)9-22-15)13-3-1-2-11(6-13)12-7-18-10-19-8-12/h1-3,6-8,10,14H,4-5,9H2,(H2,17,20)/t14-,16+/m0/s1
InChIKeyXVUIWXUJXONGGG-GOEBONIOSA-N
XLogP2.19
TPSA73.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.40
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (4aR,7aR)-7a-(3-pyrimidin-5-ylphenyl)-4,4a,6,7-tetrahydrofuro[3,2-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

5-Methyl-5-(3-pyrimidin-5-ylphenyl)-2,6-dihydro-1,4-oxazin-3-amine
CID 54761047
(4S)-4-methyl-4-(3-pyrimidin-5-ylphenyl)-5,6-dihydro-1,3-thiazin-2-amine
CID 68542320
(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-2-yl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-amine
CID 72547575
(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
(3aS,7aR)-7a-(3-pyrimidin-5-ylphenyl)-1,2,3a,4,6,7-hexahydropyrano[4,3-d][1,3]oxazol-2-amine
CID 71710913
(4aS,8aS)-8a-(2,4-difluoro-5-pyrimidin-5-ylphenyl)-4a,5,7,8-tetrahydro-4H-pyrano[4,3-d][1,3]thiazin-2-amine
CID 50903048
(4aS,7aS)-7a-(4-fluoro-3-(pyrimidin-5-yl)phenyl)-4a,5,7,7a-tetrahydro-4H-furo[3,4-d][1,3]thiazin-2-amine
CID 50903136

Frequently Asked Questions

What is the IUPAC name of (4aR,7aR)-7a-(3-pyrimidin-5-ylphenyl)-4,4a,6,7-tetrahydrofuro[3,2-d][1,3]thiazin-2-amine?
The IUPAC name of (4aR,7aR)-7a-(3-pyrimidin-5-ylphenyl)-4,4a,6,7-tetrahydrofuro[3,2-d][1,3]thiazin-2-amine (CID 86296204) is (4aR,7aR)-7a-(3-pyrimidin-5-ylphenyl)-4,4a,6,7-tetrahydrofuro[3,2-d][1,3]thiazin-2-amine.
What is the SMILES notation for (4aR,7aR)-7a-(3-pyrimidin-5-ylphenyl)-4,4a,6,7-tetrahydrofuro[3,2-d][1,3]thiazin-2-amine?
The canonical SMILES for (4aR,7aR)-7a-(3-pyrimidin-5-ylphenyl)-4,4a,6,7-tetrahydrofuro[3,2-d][1,3]thiazin-2-amine is NC1=N[C@@]2(c3cccc(-c4cncnc4)c3)CCO[C@H]2CS1.
What is the InChIKey of (4aR,7aR)-7a-(3-pyrimidin-5-ylphenyl)-4,4a,6,7-tetrahydrofuro[3,2-d][1,3]thiazin-2-amine?
The InChIKey is XVUIWXUJXONGGG-GOEBONIOSA-N. The full InChI is InChI=1S/C16H16N4OS/c17-15-20-16(4-5-21-14(16)9-22-15)13-3-1-2-11(6-13)12-7-18-10-19-8-12/h1-3,6-8,10,14H,4-5,9H2,(H2,17,20)/t14-,16+/m0/s1.
What are the key properties of (4aR,7aR)-7a-(3-pyrimidin-5-ylphenyl)-4,4a,6,7-tetrahydrofuro[3,2-d][1,3]thiazin-2-amine?
(4aR,7aR)-7a-(3-pyrimidin-5-ylphenyl)-4,4a,6,7-tetrahydrofuro[3,2-d][1,3]thiazin-2-amine has a molecular weight of 312.40 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4aR,7aR)-7a-(3-pyrimidin-5-ylphenyl)-4,4a,6,7-tetrahydrofuro[3,2-d][1,3]thiazin-2-amine is sourced from PubChem (CID 86296204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).