6-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one

C16H24N4O3 — CID 118783433

IUPAC6-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one
SMILESCc1nc2c(c(=O)n1C)CN(CC(=O)N1C[C@@H](C)O[C@@H](C)C1)C2
InChIInChI=1S/C16H24N4O3/c1-10-5-20(6-11(2)23-10)15(21)9-19-7-13-14(8-19)17-12(3)18(4)16(13)22/h10-11H,5-9H2,1-4H3/t10-,11+
InChIKeyVSGVZEDEWSZBFG-PHIMTYICSA-N
MW320.39 g/mol
LogP0.04
Rot. Bonds2

About 6-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one

6-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one (PubChem CID 118783433) has the molecular formula C16H24N4O3 and a molecular weight of 320.39 g/mol. Its IUPAC name is 6-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one
PubChem CID118783433
Molecular FormulaC16H24N4O3
Molecular Weight320.39 g/mol
Exact Mass320.18
IUPAC Name6-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one
SMILESCc1nc2c(c(=O)n1C)CN(CC(=O)N1C[C@@H](C)O[C@@H](C)C1)C2
InChIInChI=1S/C16H24N4O3/c1-10-5-20(6-11(2)23-10)15(21)9-19-7-13-14(8-19)17-12(3)18(4)16(13)22/h10-11H,5-9H2,1-4H3/t10-,11+
InChIKeyVSGVZEDEWSZBFG-PHIMTYICSA-N
XLogP0.04
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 50.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one with MolForge

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Related Compounds

2-(4-Methylmorpholin-2-yl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one
CID 136941238
2-(4-Propylmorpholin-2-yl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one
CID 136941292
2-(4-Propan-2-ylmorpholin-2-yl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one
CID 136941358
2-(4-Ethylmorpholin-2-yl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one
CID 136941388

Frequently Asked Questions

What is the IUPAC name of 6-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one?
The IUPAC name of 6-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one (CID 118783433) is 6-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 6-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one?
The canonical SMILES for 6-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one is Cc1nc2c(c(=O)n1C)CN(CC(=O)N1C[C@@H](C)O[C@@H](C)C1)C2.
What is the InChIKey of 6-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one?
The InChIKey is VSGVZEDEWSZBFG-PHIMTYICSA-N. The full InChI is InChI=1S/C16H24N4O3/c1-10-5-20(6-11(2)23-10)15(21)9-19-7-13-14(8-19)17-12(3)18(4)16(13)22/h10-11H,5-9H2,1-4H3/t10-,11+.
What are the key properties of 6-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one?
6-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one has a molecular weight of 320.39 g/mol, XLogP of 0.04, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 118783433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).