morpholin-4-yl-[1-(6-morpholin-4-ylpyrimidin-4-yl)imidazol-4-yl]methanone

C16H20N6O3 — CID 53172089

IUPACmorpholin-4-yl-[1-(6-morpholin-4-ylpyrimidin-4-yl)imidazol-4-yl]methanone
SMILESO=C(c1cn(-c2cc(N3CCOCC3)ncn2)cn1)N1CCOCC1
InChIInChI=1S/C16H20N6O3/c23-16(21-3-7-25-8-4-21)13-10-22(12-19-13)15-9-14(17-11-18-15)20-1-5-24-6-2-20/h9-12H,1-8H2
InChIKeyADABDAAZUGOSLT-UHFFFAOYSA-N
MW344.38 g/mol
LogP-0.03
Rot. Bonds3

About morpholin-4-yl-[1-(6-morpholin-4-ylpyrimidin-4-yl)imidazol-4-yl]methanone

morpholin-4-yl-[1-(6-morpholin-4-ylpyrimidin-4-yl)imidazol-4-yl]methanone (PubChem CID 53172089) has the molecular formula C16H20N6O3 and a molecular weight of 344.38 g/mol. Its IUPAC name is morpholin-4-yl-[1-(6-morpholin-4-ylpyrimidin-4-yl)imidazol-4-yl]methanone.

Molecular Properties

Compound Namemorpholin-4-yl-[1-(6-morpholin-4-ylpyrimidin-4-yl)imidazol-4-yl]methanone
PubChem CID53172089
Molecular FormulaC16H20N6O3
Molecular Weight344.38 g/mol
Exact Mass344.16
IUPAC Namemorpholin-4-yl-[1-(6-morpholin-4-ylpyrimidin-4-yl)imidazol-4-yl]methanone
SMILESO=C(c1cn(-c2cc(N3CCOCC3)ncn2)cn1)N1CCOCC1
InChIInChI=1S/C16H20N6O3/c23-16(21-3-7-25-8-4-21)13-10-22(12-19-13)15-9-14(17-11-18-15)20-1-5-24-6-2-20/h9-12H,1-8H2
InChIKeyADABDAAZUGOSLT-UHFFFAOYSA-N
XLogP-0.03
TPSA85.61 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.38
LogP ≤ 5-0.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-[1-(6-morpholin-4-ylpyrimidin-4-yl)imidazol-4-yl]methanone?
The IUPAC name of morpholin-4-yl-[1-(6-morpholin-4-ylpyrimidin-4-yl)imidazol-4-yl]methanone (CID 53172089) is morpholin-4-yl-[1-(6-morpholin-4-ylpyrimidin-4-yl)imidazol-4-yl]methanone.
What is the SMILES notation for morpholin-4-yl-[1-(6-morpholin-4-ylpyrimidin-4-yl)imidazol-4-yl]methanone?
The canonical SMILES for morpholin-4-yl-[1-(6-morpholin-4-ylpyrimidin-4-yl)imidazol-4-yl]methanone is O=C(c1cn(-c2cc(N3CCOCC3)ncn2)cn1)N1CCOCC1.
What is the InChIKey of morpholin-4-yl-[1-(6-morpholin-4-ylpyrimidin-4-yl)imidazol-4-yl]methanone?
The InChIKey is ADABDAAZUGOSLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6O3/c23-16(21-3-7-25-8-4-21)13-10-22(12-19-13)15-9-14(17-11-18-15)20-1-5-24-6-2-20/h9-12H,1-8H2.
What are the key properties of morpholin-4-yl-[1-(6-morpholin-4-ylpyrimidin-4-yl)imidazol-4-yl]methanone?
morpholin-4-yl-[1-(6-morpholin-4-ylpyrimidin-4-yl)imidazol-4-yl]methanone has a molecular weight of 344.38 g/mol, XLogP of -0.03, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-[1-(6-morpholin-4-ylpyrimidin-4-yl)imidazol-4-yl]methanone is sourced from PubChem (CID 53172089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).