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

C17H20N4O3 — CID 86264553

IUPAC(2,5-dimethylfuran-3-yl)-(2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)methanone
SMILESCc1cc(C(=O)N2Cc3cnc(N4CCOCC4)nc3C2)c(C)o1
InChIInChI=1S/C17H20N4O3/c1-11-7-14(12(2)24-11)16(22)21-9-13-8-18-17(19-15(13)10-21)20-3-5-23-6-4-20/h7-8H,3-6,9-10H2,1-2H3
InChIKeyCYHYAOKCUYGGNX-UHFFFAOYSA-N
MW328.37 g/mol
LogP1.68
Rot. Bonds2

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

(2,5-dimethylfuran-3-yl)-(2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)methanone (PubChem CID 86264553) has the molecular formula C17H20N4O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is (2,5-dimethylfuran-3-yl)-(2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)methanone.

Molecular Properties

Compound Name(2,5-dimethylfuran-3-yl)-(2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)methanone
PubChem CID86264553
Molecular FormulaC17H20N4O3
Molecular Weight328.37 g/mol
Exact Mass328.15
IUPAC Name(2,5-dimethylfuran-3-yl)-(2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)methanone
SMILESCc1cc(C(=O)N2Cc3cnc(N4CCOCC4)nc3C2)c(C)o1
InChIInChI=1S/C17H20N4O3/c1-11-7-14(12(2)24-11)16(22)21-9-13-8-18-17(19-15(13)10-21)20-3-5-23-6-4-20/h7-8H,3-6,9-10H2,1-2H3
InChIKeyCYHYAOKCUYGGNX-UHFFFAOYSA-N
XLogP1.68
TPSA71.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2,5-dimethylfuran-3-yl)-(2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)methanone?
The IUPAC name of (2,5-dimethylfuran-3-yl)-(2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)methanone (CID 86264553) is (2,5-dimethylfuran-3-yl)-(2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)methanone.
What is the SMILES notation for (2,5-dimethylfuran-3-yl)-(2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)methanone?
The canonical SMILES for (2,5-dimethylfuran-3-yl)-(2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)methanone is Cc1cc(C(=O)N2Cc3cnc(N4CCOCC4)nc3C2)c(C)o1.
What is the InChIKey of (2,5-dimethylfuran-3-yl)-(2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)methanone?
The InChIKey is CYHYAOKCUYGGNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3/c1-11-7-14(12(2)24-11)16(22)21-9-13-8-18-17(19-15(13)10-21)20-3-5-23-6-4-20/h7-8H,3-6,9-10H2,1-2H3.
What are the key properties of (2,5-dimethylfuran-3-yl)-(2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)methanone?
(2,5-dimethylfuran-3-yl)-(2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)methanone has a molecular weight of 328.37 g/mol, XLogP of 1.68, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethylfuran-3-yl)-(2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)methanone is sourced from PubChem (CID 86264553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).