6-[2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]-4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine

C21H24N4O2S — CID 127470187

IUPAC6-[2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]-4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine
SMILESCOCc1nc(N2CC3OCCN(C)C3C2)c2c(-c3ccccc3)csc2n1
InChIInChI=1S/C21H24N4O2S/c1-24-8-9-27-17-11-25(10-16(17)24)20-19-15(14-6-4-3-5-7-14)13-28-21(19)23-18(22-20)12-26-2/h3-7,13,16-17H,8-12H2,1-2H3
InChIKeyUUUMBAUOPMBIQB-UHFFFAOYSA-N
MW396.52 g/mol
LogP3.02
Rot. Bonds4

About 6-[2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]-4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine

6-[2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]-4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine (PubChem CID 127470187) has the molecular formula C21H24N4O2S and a molecular weight of 396.52 g/mol. Its IUPAC name is 6-[2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]-4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine.

Molecular Properties

Compound Name6-[2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]-4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine
PubChem CID127470187
Molecular FormulaC21H24N4O2S
Molecular Weight396.52 g/mol
Exact Mass396.16
IUPAC Name6-[2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]-4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine
SMILESCOCc1nc(N2CC3OCCN(C)C3C2)c2c(-c3ccccc3)csc2n1
InChIInChI=1S/C21H24N4O2S/c1-24-8-9-27-17-11-25(10-16(17)24)20-19-15(14-6-4-3-5-7-14)13-28-21(19)23-18(22-20)12-26-2/h3-7,13,16-17H,8-12H2,1-2H3
InChIKeyUUUMBAUOPMBIQB-UHFFFAOYSA-N
XLogP3.02
TPSA50.72 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.52
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6-[2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]-4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]-4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine?
The IUPAC name of 6-[2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]-4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine (CID 127470187) is 6-[2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]-4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine.
What is the SMILES notation for 6-[2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]-4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine?
The canonical SMILES for 6-[2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]-4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine is COCc1nc(N2CC3OCCN(C)C3C2)c2c(-c3ccccc3)csc2n1.
What is the InChIKey of 6-[2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]-4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine?
The InChIKey is UUUMBAUOPMBIQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2S/c1-24-8-9-27-17-11-25(10-16(17)24)20-19-15(14-6-4-3-5-7-14)13-28-21(19)23-18(22-20)12-26-2/h3-7,13,16-17H,8-12H2,1-2H3.
What are the key properties of 6-[2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]-4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine?
6-[2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]-4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine has a molecular weight of 396.52 g/mol, XLogP of 3.02, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]-4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine is sourced from PubChem (CID 127470187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).