2-ethoxy-1-(2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)ethanone

C14H20N4O3 — CID 86264542

IUPAC2-ethoxy-1-(2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)ethanone
SMILESCCOCC(=O)N1Cc2cnc(N3CCOCC3)nc2C1
InChIInChI=1S/C14H20N4O3/c1-2-20-10-13(19)18-8-11-7-15-14(16-12(11)9-18)17-3-5-21-6-4-17/h7H,2-6,8-10H2,1H3
InChIKeyWGQMNFAKYOIIEH-UHFFFAOYSA-N
MW292.34 g/mol
LogP0.19
Rot. Bonds4

About 2-ethoxy-1-(2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)ethanone

2-ethoxy-1-(2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)ethanone (PubChem CID 86264542) has the molecular formula C14H20N4O3 and a molecular weight of 292.34 g/mol. Its IUPAC name is 2-ethoxy-1-(2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)ethanone.

Molecular Properties

Compound Name2-ethoxy-1-(2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)ethanone
PubChem CID86264542
Molecular FormulaC14H20N4O3
Molecular Weight292.34 g/mol
Exact Mass292.15
IUPAC Name2-ethoxy-1-(2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)ethanone
SMILESCCOCC(=O)N1Cc2cnc(N3CCOCC3)nc2C1
InChIInChI=1S/C14H20N4O3/c1-2-20-10-13(19)18-8-11-7-15-14(16-12(11)9-18)17-3-5-21-6-4-17/h7H,2-6,8-10H2,1H3
InChIKeyWGQMNFAKYOIIEH-UHFFFAOYSA-N
XLogP0.19
TPSA67.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 50.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-acetyl-2-tert-butyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 56745332
2,2-dimethyl-1-(5H-pyrrolo[3,4-d]pyrimidin-6(7H)-yl)propan-1-one
CID 71805746
2-tert-butyl-6-(2-methoxy-2-methylpropanoyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 56739967
2-ethyl-6-(methoxyacetyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 56750850
(4aR,7aR)-4-[2-(dimethylamino)ethyl]-6-(5-methylpyrimidin-2-yl)-4a,5,7,7a-tetrahydropyrrolo[3,4-b][1,4]oxazin-3-one
CID 97402664
(4aR,7aR)-4-methyl-6-(5-methylpyrimidin-2-yl)-4a,5,7,7a-tetrahydropyrrolo[3,4-b][1,4]oxazin-3-one
CID 97508758
(4aR,7aR)-4-(2-methylpropyl)-6-(5-methylpyrimidin-2-yl)-4a,5,7,7a-tetrahydropyrrolo[3,4-b][1,4]oxazin-3-one
CID 97508783
(4aR,7aR)-4-(cyclopropylmethyl)-6-(5-methylpyrimidin-2-yl)-4a,5,7,7a-tetrahydropyrrolo[3,4-b][1,4]oxazin-3-one
CID 97508851
2-isobutyl-6-{[1-(2-methoxyethyl)piperidin-4-yl]carbonyl}-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 56750825
cyclopropyl(2-morpholino-5H-pyrrolo[3,4-d]pyrimidin-6(7H)-yl)methanone
CID 86264538
1-methyl-3-(2-morpholino-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine-6-carbonyl)pyridin-2(1H)-one
CID 86264561
2-methyl-6-(2-morpholino-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine-6-carbonyl)pyridazin-3(2H)-one
CID 86264596

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1-(2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)ethanone?
The IUPAC name of 2-ethoxy-1-(2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)ethanone (CID 86264542) is 2-ethoxy-1-(2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)ethanone.
What is the SMILES notation for 2-ethoxy-1-(2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)ethanone?
The canonical SMILES for 2-ethoxy-1-(2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)ethanone is CCOCC(=O)N1Cc2cnc(N3CCOCC3)nc2C1.
What is the InChIKey of 2-ethoxy-1-(2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)ethanone?
The InChIKey is WGQMNFAKYOIIEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O3/c1-2-20-10-13(19)18-8-11-7-15-14(16-12(11)9-18)17-3-5-21-6-4-17/h7H,2-6,8-10H2,1H3.
What are the key properties of 2-ethoxy-1-(2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)ethanone?
2-ethoxy-1-(2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)ethanone has a molecular weight of 292.34 g/mol, XLogP of 0.19, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1-(2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)ethanone is sourced from PubChem (CID 86264542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).