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

C24H26N6O3 — CID 117078709

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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Related Compounds

[4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]phenyl]-morpholin-4-ylmethanone
CID 58716722
2-methyl-N-[4-(5-morpholin-4-yl-3-pyridinyl)pyrimidin-2-yl]-1,3-benzoxazol-6-amine
CID 117078620
N'-ethyl-4-[2-[4-(morpholine-4-carbonyl)anilino]pyrimidin-4-yl]benzohydrazide
CID 178034949
N-[1-[4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]benzoyl]piperidin-4-yl]morpholine-4-carboxamide
CID 58716601
[4-[[4-(4-methylphenyl)pyrimidin-2-yl]amino]phenyl]-(4-phenylpiperazin-1-yl)methanone
CID 58599465
2-cyclopropyl-1-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]ethanone
CID 157060692
4-methyl-3-N-[4-(5-morpholin-4-yl-3-pyridinyl)pyrimidin-2-yl]benzene-1,3-diamine
CID 59198045
[4-[[4-methyl-3-[[4-(5-morpholin-4-yl-3-pyridinyl)pyrimidin-2-yl]amino]phenyl]carbamoyl]phenyl]methanesulfinic acid
CID 174610525
4-(4-methylphenyl)-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine
CID 145490173
2-cyano-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]acetamide
CID 25060146
N-[3-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]prop-2-enamide
CID 162658060
[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]benzoyl]imino-(pyridin-3-ylmethylimino)azanium
CID 174829221

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).