2-(4-methylmorpholin-2-yl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one

C11H16N4O2 — CID 136941238

IUPAC2-(4-methylmorpholin-2-yl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one
SMILESCN1CCOC(c2nc3c(c(=O)[nH]2)CNC3)C1
InChIInChI=1S/C11H16N4O2/c1-15-2-3-17-9(6-15)10-13-8-5-12-4-7(8)11(16)14-10/h9,12H,2-6H2,1H3,(H,13,14,16)
InChIKeyRYIQJGKVBZSQNK-UHFFFAOYSA-N
MW236.27 g/mol
LogP-0.62
Rot. Bonds1

About 2-(4-methylmorpholin-2-yl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one

2-(4-methylmorpholin-2-yl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one (PubChem CID 136941238) has the molecular formula C11H16N4O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is 2-(4-methylmorpholin-2-yl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(4-methylmorpholin-2-yl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one
PubChem CID136941238
Molecular FormulaC11H16N4O2
Molecular Weight236.27 g/mol
Exact Mass236.13
IUPAC Name2-(4-methylmorpholin-2-yl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one
SMILESCN1CCOC(c2nc3c(c(=O)[nH]2)CNC3)C1
InChIInChI=1S/C11H16N4O2/c1-15-2-3-17-9(6-15)10-13-8-5-12-4-7(8)11(16)14-10/h9,12H,2-6H2,1H3,(H,13,14,16)
InChIKeyRYIQJGKVBZSQNK-UHFFFAOYSA-N
XLogP-0.62
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 5-0.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(4-methylmorpholin-2-yl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one with MolForge

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Related Compounds

2-(4-ethylmorpholin-2-yl)-5-fluoro-4-methyl-1H-pyrimidin-6-one
CID 136295876
5-fluoro-4-methyl-2-(4-propylmorpholin-2-yl)-1H-pyrimidin-6-one
CID 136295906
2,3-dimethyl-6-(3-morpholinylacetyl)-3,5,6,7-tetrahydro-4H-pyrrolo[3,4-d]pyrimidin-4-one
CID 56910816
2,3-dimethyl-6-[2-[(3R)-morpholin-3-yl]acetyl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one
CID 95725994
2,3-dimethyl-6-[2-[(3S)-morpholin-3-yl]acetyl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one
CID 95725995
5-(aminomethyl)-2-(4-propan-2-ylmorpholin-2-yl)-1H-pyrimidin-6-one
CID 104189963
5-(aminomethyl)-2-(4-methylmorpholin-2-yl)-1H-pyrimidin-6-one
CID 104190010
5-(aminomethyl)-2-(4-ethylmorpholin-2-yl)-1H-pyrimidin-6-one
CID 113385101
5-(aminomethyl)-2-(4-propylmorpholin-2-yl)-1H-pyrimidin-6-one
CID 113385102
5-(methylaminomethyl)-2-(4-methylmorpholin-2-yl)-1H-pyrimidin-6-one
CID 114206196
6-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-2,3-dimethyl-3,5,6,7-tetrahydro-4H-pyrrolo[3,4-d]pyrimidin-4-one
CID 118783433
4-methyl-5-(morpholine-4-carbonyl)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136062315

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylmorpholin-2-yl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one?
The IUPAC name of 2-(4-methylmorpholin-2-yl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one (CID 136941238) is 2-(4-methylmorpholin-2-yl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 2-(4-methylmorpholin-2-yl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one?
The canonical SMILES for 2-(4-methylmorpholin-2-yl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one is CN1CCOC(c2nc3c(c(=O)[nH]2)CNC3)C1.
What is the InChIKey of 2-(4-methylmorpholin-2-yl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one?
The InChIKey is RYIQJGKVBZSQNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c1-15-2-3-17-9(6-15)10-13-8-5-12-4-7(8)11(16)14-10/h9,12H,2-6H2,1H3,(H,13,14,16).
What are the key properties of 2-(4-methylmorpholin-2-yl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one?
2-(4-methylmorpholin-2-yl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one has a molecular weight of 236.27 g/mol, XLogP of -0.62, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylmorpholin-2-yl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 136941238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).