[3-methoxy-4-[(6-methoxy-7H-purin-2-yl)amino]phenyl]-morpholin-4-ylmethanone

C18H20N6O4 — CID 122457225

IUPAC[3-methoxy-4-[(6-methoxy-7H-purin-2-yl)amino]phenyl]-morpholin-4-ylmethanone
SMILESCOc1cc(C(=O)N2CCOCC2)ccc1Nc1nc(OC)c2[nH]cnc2n1
InChIInChI=1S/C18H20N6O4/c1-26-13-9-11(17(25)24-5-7-28-8-6-24)3-4-12(13)21-18-22-15-14(19-10-20-15)16(23-18)27-2/h3-4,9-10H,5-8H2,1-2H3,(H2,19,20,21,22,23)
InChIKeyYRMZLFWPUQNTRS-UHFFFAOYSA-N
MW384.40 g/mol
LogP1.59
Rot. Bonds5

About [3-methoxy-4-[(6-methoxy-7H-purin-2-yl)amino]phenyl]-morpholin-4-ylmethanone

[3-methoxy-4-[(6-methoxy-7H-purin-2-yl)amino]phenyl]-morpholin-4-ylmethanone (PubChem CID 122457225) has the molecular formula C18H20N6O4 and a molecular weight of 384.40 g/mol. Its IUPAC name is [3-methoxy-4-[(6-methoxy-7H-purin-2-yl)amino]phenyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[3-methoxy-4-[(6-methoxy-7H-purin-2-yl)amino]phenyl]-morpholin-4-ylmethanone
PubChem CID122457225
Molecular FormulaC18H20N6O4
Molecular Weight384.40 g/mol
Exact Mass384.15
IUPAC Name[3-methoxy-4-[(6-methoxy-7H-purin-2-yl)amino]phenyl]-morpholin-4-ylmethanone
SMILESCOc1cc(C(=O)N2CCOCC2)ccc1Nc1nc(OC)c2[nH]cnc2n1
InChIInChI=1S/C18H20N6O4/c1-26-13-9-11(17(25)24-5-7-28-8-6-24)3-4-12(13)21-18-22-15-14(19-10-20-15)16(23-18)27-2/h3-4,9-10H,5-8H2,1-2H3,(H2,19,20,21,22,23)
InChIKeyYRMZLFWPUQNTRS-UHFFFAOYSA-N
XLogP1.59
TPSA114.49 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.40
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [3-methoxy-4-[(6-methoxy-7H-purin-2-yl)amino]phenyl]-morpholin-4-ylmethanone?
The IUPAC name of [3-methoxy-4-[(6-methoxy-7H-purin-2-yl)amino]phenyl]-morpholin-4-ylmethanone (CID 122457225) is [3-methoxy-4-[(6-methoxy-7H-purin-2-yl)amino]phenyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [3-methoxy-4-[(6-methoxy-7H-purin-2-yl)amino]phenyl]-morpholin-4-ylmethanone?
The canonical SMILES for [3-methoxy-4-[(6-methoxy-7H-purin-2-yl)amino]phenyl]-morpholin-4-ylmethanone is COc1cc(C(=O)N2CCOCC2)ccc1Nc1nc(OC)c2[nH]cnc2n1.
What is the InChIKey of [3-methoxy-4-[(6-methoxy-7H-purin-2-yl)amino]phenyl]-morpholin-4-ylmethanone?
The InChIKey is YRMZLFWPUQNTRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O4/c1-26-13-9-11(17(25)24-5-7-28-8-6-24)3-4-12(13)21-18-22-15-14(19-10-20-15)16(23-18)27-2/h3-4,9-10H,5-8H2,1-2H3,(H2,19,20,21,22,23).
What are the key properties of [3-methoxy-4-[(6-methoxy-7H-purin-2-yl)amino]phenyl]-morpholin-4-ylmethanone?
[3-methoxy-4-[(6-methoxy-7H-purin-2-yl)amino]phenyl]-morpholin-4-ylmethanone has a molecular weight of 384.40 g/mol, XLogP of 1.59, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methoxy-4-[(6-methoxy-7H-purin-2-yl)amino]phenyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 122457225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).