2-methyl-6-(5-methylpyrimidin-2-yl)-7a-pyrazin-2-yl-4,4a,5,7-tetrahydropyrrolo[3,4-d][1,3]thiazine

C16H18N6S — CID 144616192

IUPAC2-methyl-6-(5-methylpyrimidin-2-yl)-7a-pyrazin-2-yl-4,4a,5,7-tetrahydropyrrolo[3,4-d][1,3]thiazine
SMILESCC1=NC2(c3cnccn3)CN(c3ncc(C)cn3)CC2CS1
InChIInChI=1S/C16H18N6S/c1-11-5-19-15(20-6-11)22-8-13-9-23-12(2)21-16(13,10-22)14-7-17-3-4-18-14/h3-7,13H,8-10H2,1-2H3
InChIKeyUOYQVTBHHPEDPB-UHFFFAOYSA-N
MW326.43 g/mol
LogP2.07
Rot. Bonds2

About 2-methyl-6-(5-methylpyrimidin-2-yl)-7a-pyrazin-2-yl-4,4a,5,7-tetrahydropyrrolo[3,4-d][1,3]thiazine

2-methyl-6-(5-methylpyrimidin-2-yl)-7a-pyrazin-2-yl-4,4a,5,7-tetrahydropyrrolo[3,4-d][1,3]thiazine (PubChem CID 144616192) has the molecular formula C16H18N6S and a molecular weight of 326.43 g/mol. Its IUPAC name is 2-methyl-6-(5-methylpyrimidin-2-yl)-7a-pyrazin-2-yl-4,4a,5,7-tetrahydropyrrolo[3,4-d][1,3]thiazine.

Molecular Properties

Compound Name2-methyl-6-(5-methylpyrimidin-2-yl)-7a-pyrazin-2-yl-4,4a,5,7-tetrahydropyrrolo[3,4-d][1,3]thiazine
PubChem CID144616192
Molecular FormulaC16H18N6S
Molecular Weight326.43 g/mol
Exact Mass326.13
IUPAC Name2-methyl-6-(5-methylpyrimidin-2-yl)-7a-pyrazin-2-yl-4,4a,5,7-tetrahydropyrrolo[3,4-d][1,3]thiazine
SMILESCC1=NC2(c3cnccn3)CN(c3ncc(C)cn3)CC2CS1
InChIInChI=1S/C16H18N6S/c1-11-5-19-15(20-6-11)22-8-13-9-23-12(2)21-16(13,10-22)14-7-17-3-4-18-14/h3-7,13H,8-10H2,1-2H3
InChIKeyUOYQVTBHHPEDPB-UHFFFAOYSA-N
XLogP2.07
TPSA67.16 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.43
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(5-methylpyrimidin-2-yl)-7a-pyrazin-2-yl-4,4a,5,7-tetrahydropyrrolo[3,4-d][1,3]thiazine?
The IUPAC name of 2-methyl-6-(5-methylpyrimidin-2-yl)-7a-pyrazin-2-yl-4,4a,5,7-tetrahydropyrrolo[3,4-d][1,3]thiazine (CID 144616192) is 2-methyl-6-(5-methylpyrimidin-2-yl)-7a-pyrazin-2-yl-4,4a,5,7-tetrahydropyrrolo[3,4-d][1,3]thiazine.
What is the SMILES notation for 2-methyl-6-(5-methylpyrimidin-2-yl)-7a-pyrazin-2-yl-4,4a,5,7-tetrahydropyrrolo[3,4-d][1,3]thiazine?
The canonical SMILES for 2-methyl-6-(5-methylpyrimidin-2-yl)-7a-pyrazin-2-yl-4,4a,5,7-tetrahydropyrrolo[3,4-d][1,3]thiazine is CC1=NC2(c3cnccn3)CN(c3ncc(C)cn3)CC2CS1.
What is the InChIKey of 2-methyl-6-(5-methylpyrimidin-2-yl)-7a-pyrazin-2-yl-4,4a,5,7-tetrahydropyrrolo[3,4-d][1,3]thiazine?
The InChIKey is UOYQVTBHHPEDPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6S/c1-11-5-19-15(20-6-11)22-8-13-9-23-12(2)21-16(13,10-22)14-7-17-3-4-18-14/h3-7,13H,8-10H2,1-2H3.
What are the key properties of 2-methyl-6-(5-methylpyrimidin-2-yl)-7a-pyrazin-2-yl-4,4a,5,7-tetrahydropyrrolo[3,4-d][1,3]thiazine?
2-methyl-6-(5-methylpyrimidin-2-yl)-7a-pyrazin-2-yl-4,4a,5,7-tetrahydropyrrolo[3,4-d][1,3]thiazine has a molecular weight of 326.43 g/mol, XLogP of 2.07, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(5-methylpyrimidin-2-yl)-7a-pyrazin-2-yl-4,4a,5,7-tetrahydropyrrolo[3,4-d][1,3]thiazine is sourced from PubChem (CID 144616192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).