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Morpholin-4-yl-[4-[[4-(5-morpholin-4-yl-3-pyridinyl)pyrimidin-2-yl]amino]phenyl]methanone

C24H26N6O3 — CID 117078709

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACmorpholin-4-yl-[4-[[4-(5-morpholin-4-yl-3-pyridinyl)pyrimidin-2-yl]amino]phenyl]methanone
SMILESO=C(c1ccc(Nc2nccc(-c3cncc(N4CCOCC4)c3)n2)cc1)N1CCOCC1
InChIInChI=1S/C24H26N6O3/c31-23(30-9-13-33-14-10-30)18-1-3-20(4-2-18)27-24-26-6-5-22(28-24)19-15-21(17-25-16-19)29-7-11-32-12-8-29/h1-6,15-17H,7-14H2,(H,26,27,28)
InChIKeyNMBATGPXBUDUFD-UHFFFAOYSA-N
MW446.51 g/mol
LogP2.59
Rot. Bonds5

About Morpholin-4-yl-[4-[[4-(5-morpholin-4-yl-3-pyridinyl)pyrimidin-2-yl]amino]phenyl]methanone

Morpholin-4-yl-[4-[[4-(5-morpholin-4-yl-3-pyridinyl)pyrimidin-2-yl]amino]phenyl]methanone (PubChem CID 117078709) has the molecular formula C24H26N6O3 and a molecular weight of 446.51 g/mol. Its IUPAC name is morpholin-4-yl-[4-[[4-(5-morpholin-4-yl-3-pyridinyl)pyrimidin-2-yl]amino]phenyl]methanone.

Molecular Properties

Compound NameMorpholin-4-yl-[4-[[4-(5-morpholin-4-yl-3-pyridinyl)pyrimidin-2-yl]amino]phenyl]methanone
PubChem CID117078709
Molecular FormulaC24H26N6O3
Molecular Weight446.51 g/mol
Exact Mass446.21
IUPAC Namemorpholin-4-yl-[4-[[4-(5-morpholin-4-yl-3-pyridinyl)pyrimidin-2-yl]amino]phenyl]methanone
SMILESO=C(c1ccc(Nc2nccc(-c3cncc(N4CCOCC4)c3)n2)cc1)N1CCOCC1
InChIInChI=1S/C24H26N6O3/c31-23(30-9-13-33-14-10-30)18-1-3-20(4-2-18)27-24-26-6-5-22(28-24)19-15-21(17-25-16-19)29-7-11-32-12-8-29/h1-6,15-17H,7-14H2,(H,26,27,28)
InChIKeyNMBATGPXBUDUFD-UHFFFAOYSA-N
XLogP2.59
TPSA92.71 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.51
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of Morpholin-4-yl-[4-[[4-(5-morpholin-4-yl-3-pyridinyl)pyrimidin-2-yl]amino]phenyl]methanone?
The IUPAC name of Morpholin-4-yl-[4-[[4-(5-morpholin-4-yl-3-pyridinyl)pyrimidin-2-yl]amino]phenyl]methanone (CID 117078709) is morpholin-4-yl-[4-[[4-(5-morpholin-4-yl-3-pyridinyl)pyrimidin-2-yl]amino]phenyl]methanone.
What is the SMILES notation for Morpholin-4-yl-[4-[[4-(5-morpholin-4-yl-3-pyridinyl)pyrimidin-2-yl]amino]phenyl]methanone?
The canonical SMILES for Morpholin-4-yl-[4-[[4-(5-morpholin-4-yl-3-pyridinyl)pyrimidin-2-yl]amino]phenyl]methanone is O=C(c1ccc(Nc2nccc(-c3cncc(N4CCOCC4)c3)n2)cc1)N1CCOCC1.
What is the InChIKey of Morpholin-4-yl-[4-[[4-(5-morpholin-4-yl-3-pyridinyl)pyrimidin-2-yl]amino]phenyl]methanone?
The InChIKey is NMBATGPXBUDUFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O3/c31-23(30-9-13-33-14-10-30)18-1-3-20(4-2-18)27-24-26-6-5-22(28-24)19-15-21(17-25-16-19)29-7-11-32-12-8-29/h1-6,15-17H,7-14H2,(H,26,27,28).
What are the key properties of Morpholin-4-yl-[4-[[4-(5-morpholin-4-yl-3-pyridinyl)pyrimidin-2-yl]amino]phenyl]methanone?
Morpholin-4-yl-[4-[[4-(5-morpholin-4-yl-3-pyridinyl)pyrimidin-2-yl]amino]phenyl]methanone has a molecular weight of 446.51 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for Morpholin-4-yl-[4-[[4-(5-morpholin-4-yl-3-pyridinyl)pyrimidin-2-yl]amino]phenyl]methanone is sourced from PubChem (CID 117078709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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