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

C18H20N4O3 — CID 86264559

IUPAC1-(2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2-phenoxyethanone
SMILESO=C(COc1ccccc1)N1Cc2cnc(N3CCOCC3)nc2C1
InChIInChI=1S/C18H20N4O3/c23-17(13-25-15-4-2-1-3-5-15)22-11-14-10-19-18(20-16(14)12-22)21-6-8-24-9-7-21/h1-5,10H,6-9,11-13H2
InChIKeyMDBZAQBPPFVBPF-UHFFFAOYSA-N
MW340.38 g/mol
LogP1.23
Rot. Bonds4

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

1-(2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2-phenoxyethanone (PubChem CID 86264559) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is 1-(2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2-phenoxyethanone.

Molecular Properties

Compound Name1-(2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2-phenoxyethanone
PubChem CID86264559
Molecular FormulaC18H20N4O3
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC Name1-(2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2-phenoxyethanone
SMILESO=C(COc1ccccc1)N1Cc2cnc(N3CCOCC3)nc2C1
InChIInChI=1S/C18H20N4O3/c23-17(13-25-15-4-2-1-3-5-15)22-11-14-10-19-18(20-16(14)12-22)21-6-8-24-9-7-21/h1-5,10H,6-9,11-13H2
InChIKeyMDBZAQBPPFVBPF-UHFFFAOYSA-N
XLogP1.23
TPSA67.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2-phenoxyethanone?
The IUPAC name of 1-(2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2-phenoxyethanone (CID 86264559) is 1-(2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2-phenoxyethanone.
What is the SMILES notation for 1-(2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2-phenoxyethanone?
The canonical SMILES for 1-(2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2-phenoxyethanone is O=C(COc1ccccc1)N1Cc2cnc(N3CCOCC3)nc2C1.
What is the InChIKey of 1-(2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2-phenoxyethanone?
The InChIKey is MDBZAQBPPFVBPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3/c23-17(13-25-15-4-2-1-3-5-15)22-11-14-10-19-18(20-16(14)12-22)21-6-8-24-9-7-21/h1-5,10H,6-9,11-13H2.
What are the key properties of 1-(2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2-phenoxyethanone?
1-(2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2-phenoxyethanone has a molecular weight of 340.38 g/mol, XLogP of 1.23, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2-phenoxyethanone is sourced from PubChem (CID 86264559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).