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

C13H20N4O2 — CID 136941358

IUPAC2-(4-propan-2-ylmorpholin-2-yl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one
SMILESCC(C)N1CCOC(c2nc3c(c(=O)[nH]2)CNC3)C1
InChIInChI=1S/C13H20N4O2/c1-8(2)17-3-4-19-11(7-17)12-15-10-6-14-5-9(10)13(18)16-12/h8,11,14H,3-7H2,1-2H3,(H,15,16,18)
InChIKeyWDOCYPCZVCYJHD-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.15
Rot. Bonds2

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

2-(4-propan-2-ylmorpholin-2-yl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one (PubChem CID 136941358) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 2-(4-propan-2-ylmorpholin-2-yl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(4-propan-2-ylmorpholin-2-yl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one
PubChem CID136941358
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name2-(4-propan-2-ylmorpholin-2-yl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one
SMILESCC(C)N1CCOC(c2nc3c(c(=O)[nH]2)CNC3)C1
InChIInChI=1S/C13H20N4O2/c1-8(2)17-3-4-19-11(7-17)12-15-10-6-14-5-9(10)13(18)16-12/h8,11,14H,3-7H2,1-2H3,(H,15,16,18)
InChIKeyWDOCYPCZVCYJHD-UHFFFAOYSA-N
XLogP0.15
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

5-fluoro-4-methyl-2-(4-propan-2-ylmorpholin-2-yl)-1H-pyrimidin-6-one
CID 136294514
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
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
2,4-dimethyl-5-[1-(2-morpholin-4-ylethylamino)ethyl]-1H-pyrimidin-6-one
CID 136091255
2,4-dimethyl-5-[1-(1-morpholin-4-ylpropan-2-ylamino)ethyl]-1H-pyrimidin-6-one
CID 136091426
2,4-dimethyl-5-[1-[(4-methylmorpholin-2-yl)methylamino]ethyl]-1H-pyrimidin-6-one
CID 136277890
2-(4-methylmorpholin-2-yl)-4-(propylaminomethyl)-1H-pyrimidin-6-one
CID 136277896
2-(4-methylmorpholin-2-yl)-4-[(propan-2-ylamino)methyl]-1H-pyrimidin-6-one
CID 136277900
4-[(cyclopropylamino)methyl]-2-(4-methylmorpholin-2-yl)-1H-pyrimidin-6-one
CID 136277904

Frequently Asked Questions

What is the IUPAC name of 2-(4-propan-2-ylmorpholin-2-yl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one?
The IUPAC name of 2-(4-propan-2-ylmorpholin-2-yl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one (CID 136941358) is 2-(4-propan-2-ylmorpholin-2-yl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 2-(4-propan-2-ylmorpholin-2-yl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one?
The canonical SMILES for 2-(4-propan-2-ylmorpholin-2-yl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one is CC(C)N1CCOC(c2nc3c(c(=O)[nH]2)CNC3)C1.
What is the InChIKey of 2-(4-propan-2-ylmorpholin-2-yl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one?
The InChIKey is WDOCYPCZVCYJHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-8(2)17-3-4-19-11(7-17)12-15-10-6-14-5-9(10)13(18)16-12/h8,11,14H,3-7H2,1-2H3,(H,15,16,18).
What are the key properties of 2-(4-propan-2-ylmorpholin-2-yl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one?
2-(4-propan-2-ylmorpholin-2-yl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one has a molecular weight of 264.33 g/mol, XLogP of 0.15, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propan-2-ylmorpholin-2-yl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 136941358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).