4-N-[(E)-(3-methylphenyl)methylideneamino]-6-morpholin-4-yl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine;N-[(E)-(3-methylphenyl)methylideneamino]-6-morpholin-4-yl-2-pyridin-2-yloxypyrimidin-4-amine;N-[(E)-(3-methylphenyl)methylideneamino]-6-morpholin-4-yl-2-(1-pyridin-2-ylpropan-2-yloxy)pyrimidin-4-amine;N-[(E)-(3-methylphenyl)methylideneamino]-6-morpholin-4-yl-2-(2-pyrimidin-2-ylethoxy)pyrimidin-4-amine

C89H100N26O7 — CID 172946817

IUPAC4-N-[(E)-(3-methylphenyl)methylideneamino]-6-morpholin-4-yl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine;N-[(E)-(3-methylphenyl)methylideneamino]-6-morpholin-4-yl-2-pyridin-2-yloxypyrimidin-4-amine;N-[(E)-(3-methylphenyl)methylideneamino]-6-morpholin-4-yl-2-(1-pyridin-2-ylpropan-2-yloxy)pyrimidin-4-amine;N-[(E)-(3-methylphenyl)methylideneamino]-6-morpholin-4-yl-2-(2-pyrimidin-2-ylethoxy)pyrimidin-4-amine
SMILESCc1cccc(/C=N/Nc2cc(N3CCOCC3)nc(NCc3ccccn3)n2)c1.Cc1cccc(/C=N/Nc2cc(N3CCOCC3)nc(OC(C)Cc3ccccn3)n2)c1.Cc1cccc(/C=N/Nc2cc(N3CCOCC3)nc(OCCc3ncccn3)n2)c1.Cc1cccc(/C=N/Nc2cc(N3CCOCC3)nc(Oc3ccccn3)n2)c1
InChIInChI=1S/C24H28N6O2.C22H25N7O2.C22H25N7O.C21H22N6O2/c1-18-6-5-7-20(14-18)17-26-29-22-16-23(30-10-12-31-13-11-30)28-24(27-22)32-19(2)15-21-8-3-4-9-25-21;1-17-4-2-5-18(14-17)16-25-28-20-15-21(29-9-12-30-13-10-29)27-22(26-20)31-11-6-19-23-7-3-8-24-19;1-17-5-4-6-18(13-17)15-25-28-20-14-21(29-9-11-30-12-10-29)27-22(26-20)24-16-19-7-2-3-8-23-19;1-16-5-4-6-17(13-16)15-23-26-18-14-19(27-9-11-28-12-10-27)25-21(24-18)29-20-7-2-3-8-22-20/h3-9,14,16-17,19H,10-13,15H2,1-2H3,(H,27,28,29);2-5,7-8,14-16H,6,9-13H2,1H3,(H,26,27,28);2-8,13-15H,9-12,16H2,1H3,(H2,24,26,27,28);2-8,13-15H,9-12H2,1H3,(H,24,25,26)/b26-17+;25-16+;25-15+;23-15+
InChIKeyNXGZKQMDYRMHOQ-KVBTYEQESA-N
MW1645.95 g/mol
LogP12.28
Rot. Bonds29

About 4-N-[(E)-(3-methylphenyl)methylideneamino]-6-morpholin-4-yl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine;N-[(E)-(3-methylphenyl)methylideneamino]-6-morpholin-4-yl-2-pyridin-2-yloxypyrimidin-4-amine;N-[(E)-(3-methylphenyl)methylideneamino]-6-morpholin-4-yl-2-(1-pyridin-2-ylpropan-2-yloxy)pyrimidin-4-amine;N-[(E)-(3-methylphenyl)methylideneamino]-6-morpholin-4-yl-2-(2-pyrimidin-2-ylethoxy)pyrimidin-4-amine

4-N-[(E)-(3-methylphenyl)methylideneamino]-6-morpholin-4-yl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine;N-[(E)-(3-methylphenyl)methylideneamino]-6-morpholin-4-yl-2-pyridin-2-yloxypyrimidin-4-amine;N-[(E)-(3-methylphenyl)methylideneamino]-6-morpholin-4-yl-2-(1-pyridin-2-ylpropan-2-yloxy)pyrimidin-4-amine;N-[(E)-(3-methylphenyl)methylideneamino]-6-morpholin-4-yl-2-(2-pyrimidin-2-ylethoxy)pyrimidin-4-amine (PubChem CID 172946817) has the molecular formula C89H100N26O7 and a molecular weight of 1645.95 g/mol. Its IUPAC name is 4-N-[(E)-(3-methylphenyl)methylideneamino]-6-morpholin-4-yl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine;N-[(E)-(3-methylphenyl)methylideneamino]-6-morpholin-4-yl-2-pyridin-2-yloxypyrimidin-4-amine;N-[(E)-(3-methylphenyl)methylideneamino]-6-morpholin-4-yl-2-(1-pyridin-2-ylpropan-2-yloxy)pyrimidin-4-amine;N-[(E)-(3-methylphenyl)methylideneamino]-6-morpholin-4-yl-2-(2-pyrimidin-2-ylethoxy)pyrimidin-4-amine.

Molecular Properties

Compound Name4-N-[(E)-(3-methylphenyl)methylideneamino]-6-morpholin-4-yl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine;N-[(E)-(3-methylphenyl)methylideneamino]-6-morpholin-4-yl-2-pyridin-2-yloxypyrimidin-4-amine;N-[(E)-(3-methylphenyl)methylideneamino]-6-morpholin-4-yl-2-(1-pyridin-2-ylpropan-2-yloxy)pyrimidin-4-amine;N-[(E)-(3-methylphenyl)methylideneamino]-6-morpholin-4-yl-2-(2-pyrimidin-2-ylethoxy)pyrimidin-4-amine
PubChem CID172946817
Molecular FormulaC89H100N26O7
Molecular Weight1645.95 g/mol
Exact Mass1644.83
IUPAC Name4-N-[(E)-(3-methylphenyl)methylideneamino]-6-morpholin-4-yl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine;N-[(E)-(3-methylphenyl)methylideneamino]-6-morpholin-4-yl-2-pyridin-2-yloxypyrimidin-4-amine;N-[(E)-(3-methylphenyl)methylideneamino]-6-morpholin-4-yl-2-(1-pyridin-2-ylpropan-2-yloxy)pyrimidin-4-amine;N-[(E)-(3-methylphenyl)methylideneamino]-6-morpholin-4-yl-2-(2-pyrimidin-2-ylethoxy)pyrimidin-4-amine
SMILESCc1cccc(/C=N/Nc2cc(N3CCOCC3)nc(NCc3ccccn3)n2)c1.Cc1cccc(/C=N/Nc2cc(N3CCOCC3)nc(OC(C)Cc3ccccn3)n2)c1.Cc1cccc(/C=N/Nc2cc(N3CCOCC3)nc(OCCc3ncccn3)n2)c1.Cc1cccc(/C=N/Nc2cc(N3CCOCC3)nc(Oc3ccccn3)n2)c1
InChIInChI=1S/C24H28N6O2.C22H25N7O2.C22H25N7O.C21H22N6O2/c1-18-6-5-7-20(14-18)17-26-29-22-16-23(30-10-12-31-13-11-30)28-24(27-22)32-19(2)15-21-8-3-4-9-25-21;1-17-4-2-5-18(14-17)16-25-28-20-15-21(29-9-12-30-13-10-29)27-22(26-20)31-11-6-19-23-7-3-8-24-19;1-17-5-4-6-18(13-17)15-25-28-20-14-21(29-9-11-30-12-10-29)27-22(26-20)24-16-19-7-2-3-8-23-19;1-16-5-4-6-17(13-16)15-23-26-18-14-19(27-9-11-28-12-10-27)25-21(24-18)29-20-7-2-3-8-22-20/h3-9,14,16-17,19H,10-13,15H2,1-2H3,(H,27,28,29);2-5,7-8,14-16H,6,9-13H2,1H3,(H,26,27,28);2-8,13-15H,9-12,16H2,1H3,(H2,24,26,27,28);2-8,13-15H,9-12H2,1H3,(H,24,25,26)/b26-17+;25-16+;25-15+;23-15+
InChIKeyNXGZKQMDYRMHOQ-KVBTYEQESA-N
XLogP12.28
TPSA354.73 Ų
H-Bond Donors5
H-Bond Acceptors33
Rotatable Bonds29
Heavy Atoms122
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001645.95
LogP ≤ 512.28
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1033

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-N-[(E)-(3-methylphenyl)methylideneamino]-6-morpholin-4-yl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine;N-[(E)-(3-methylphenyl)methylideneamino]-6-morpholin-4-yl-2-pyridin-2-yloxypyrimidin-4-amine;N-[(E)-(3-methylphenyl)methylideneamino]-6-morpholin-4-yl-2-(1-pyridin-2-ylpropan-2-yloxy)pyrimidin-4-amine;N-[(E)-(3-methylphenyl)methylideneamino]-6-morpholin-4-yl-2-(2-pyrimidin-2-ylethoxy)pyrimidin-4-amine with MolForge

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Related Compounds

6-(azetidin-1-yl)-N-[(3-methylphenyl)methylideneamino]-2-(2-pyridin-2-ylethoxy)pyrimidin-4-amine
CID 66681684
N-[(3-fluorophenyl)methylideneamino]-6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-amine
CID 66681810
2-[4-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-6-morpholin-4-ylpyrimidin-2-yl]oxyethyl morpholine-4-carboxylate
CID 58613205
N-[(E)-(2-iodo-4-pyridinyl)methylideneamino]-6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-amine
CID 172933395
N-[(E)-(3-methylphenyl)methylideneamino]-6-morpholin-4-yl-2-pyridin-3-yloxypyrimidin-4-amine
CID 10194138
N-[(E)-(3-chlorophenyl)methylideneamino]-6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-amine;N-[(E)-(3-fluorophenyl)methylideneamino]-6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-amine;N-[(E)-(3-iodophenyl)methylideneamino]-6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-amine;1-[2-[4-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-6-morpholin-4-ylpyrimidin-2-yl]oxyethyl]pyridin-2-one
CID 172951665
3-[4-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-6-morpholin-4-ylpyrimidin-2-yl]-1-pyridin-2-ylpropan-1-ol
CID 11293401
N-[(3-methylphenyl)methylideneamino]-4-morpholin-4-yl-6-(2-pyridin-2-yloxyethoxy)pyridin-2-amine
CID 66683643
3-methyl-N-[(E)-[6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-yl]methylideneamino]aniline
CID 11166016
N-[(3-methylphenyl)methylideneamino]-2-(2-morpholin-4-ylethoxy)-6-(1,3-thiazolidin-3-yl)pyrimidin-4-amine
CID 66683532
4-N,4-N-dimethyl-6-N-[(E)-(3-methylphenyl)methylideneamino]-2-(2-pyridin-2-ylethoxy)pyrimidine-4,6-diamine
CID 11646521
5-[(3-methylphenyl)methylideneamino]-6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-amine
CID 140649039

Frequently Asked Questions

What is the IUPAC name of 4-N-[(E)-(3-methylphenyl)methylideneamino]-6-morpholin-4-yl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine;N-[(E)-(3-methylphenyl)methylideneamino]-6-morpholin-4-yl-2-pyridin-2-yloxypyrimidin-4-amine;N-[(E)-(3-methylphenyl)methylideneamino]-6-morpholin-4-yl-2-(1-pyridin-2-ylpropan-2-yloxy)pyrimidin-4-amine;N-[(E)-(3-methylphenyl)methylideneamino]-6-morpholin-4-yl-2-(2-pyrimidin-2-ylethoxy)pyrimidin-4-amine?
The IUPAC name of 4-N-[(E)-(3-methylphenyl)methylideneamino]-6-morpholin-4-yl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine;N-[(E)-(3-methylphenyl)methylideneamino]-6-morpholin-4-yl-2-pyridin-2-yloxypyrimidin-4-amine;N-[(E)-(3-methylphenyl)methylideneamino]-6-morpholin-4-yl-2-(1-pyridin-2-ylpropan-2-yloxy)pyrimidin-4-amine;N-[(E)-(3-methylphenyl)methylideneamino]-6-morpholin-4-yl-2-(2-pyrimidin-2-ylethoxy)pyrimidin-4-amine (CID 172946817) is 4-N-[(E)-(3-methylphenyl)methylideneamino]-6-morpholin-4-yl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine;N-[(E)-(3-methylphenyl)methylideneamino]-6-morpholin-4-yl-2-pyridin-2-yloxypyrimidin-4-amine;N-[(E)-(3-methylphenyl)methylideneamino]-6-morpholin-4-yl-2-(1-pyridin-2-ylpropan-2-yloxy)pyrimidin-4-amine;N-[(E)-(3-methylphenyl)methylideneamino]-6-morpholin-4-yl-2-(2-pyrimidin-2-ylethoxy)pyrimidin-4-amine.
What is the SMILES notation for 4-N-[(E)-(3-methylphenyl)methylideneamino]-6-morpholin-4-yl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine;N-[(E)-(3-methylphenyl)methylideneamino]-6-morpholin-4-yl-2-pyridin-2-yloxypyrimidin-4-amine;N-[(E)-(3-methylphenyl)methylideneamino]-6-morpholin-4-yl-2-(1-pyridin-2-ylpropan-2-yloxy)pyrimidin-4-amine;N-[(E)-(3-methylphenyl)methylideneamino]-6-morpholin-4-yl-2-(2-pyrimidin-2-ylethoxy)pyrimidin-4-amine?
The canonical SMILES for 4-N-[(E)-(3-methylphenyl)methylideneamino]-6-morpholin-4-yl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine;N-[(E)-(3-methylphenyl)methylideneamino]-6-morpholin-4-yl-2-pyridin-2-yloxypyrimidin-4-amine;N-[(E)-(3-methylphenyl)methylideneamino]-6-morpholin-4-yl-2-(1-pyridin-2-ylpropan-2-yloxy)pyrimidin-4-amine;N-[(E)-(3-methylphenyl)methylideneamino]-6-morpholin-4-yl-2-(2-pyrimidin-2-ylethoxy)pyrimidin-4-amine is Cc1cccc(/C=N/Nc2cc(N3CCOCC3)nc(NCc3ccccn3)n2)c1.Cc1cccc(/C=N/Nc2cc(N3CCOCC3)nc(OC(C)Cc3ccccn3)n2)c1.Cc1cccc(/C=N/Nc2cc(N3CCOCC3)nc(OCCc3ncccn3)n2)c1.Cc1cccc(/C=N/Nc2cc(N3CCOCC3)nc(Oc3ccccn3)n2)c1.
What is the InChIKey of 4-N-[(E)-(3-methylphenyl)methylideneamino]-6-morpholin-4-yl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine;N-[(E)-(3-methylphenyl)methylideneamino]-6-morpholin-4-yl-2-pyridin-2-yloxypyrimidin-4-amine;N-[(E)-(3-methylphenyl)methylideneamino]-6-morpholin-4-yl-2-(1-pyridin-2-ylpropan-2-yloxy)pyrimidin-4-amine;N-[(E)-(3-methylphenyl)methylideneamino]-6-morpholin-4-yl-2-(2-pyrimidin-2-ylethoxy)pyrimidin-4-amine?
The InChIKey is NXGZKQMDYRMHOQ-KVBTYEQESA-N. The full InChI is InChI=1S/C24H28N6O2.C22H25N7O2.C22H25N7O.C21H22N6O2/c1-18-6-5-7-20(14-18)17-26-29-22-16-23(30-10-12-31-13-11-30)28-24(27-22)32-19(2)15-21-8-3-4-9-25-21;1-17-4-2-5-18(14-17)16-25-28-20-15-21(29-9-12-30-13-10-29)27-22(26-20)31-11-6-19-23-7-3-8-24-19;1-17-5-4-6-18(13-17)15-25-28-20-14-21(29-9-11-30-12-10-29)27-22(26-20)24-16-19-7-2-3-8-23-19;1-16-5-4-6-17(13-16)15-23-26-18-14-19(27-9-11-28-12-10-27)25-21(24-18)29-20-7-2-3-8-22-20/h3-9,14,16-17,19H,10-13,15H2,1-2H3,(H,27,28,29);2-5,7-8,14-16H,6,9-13H2,1H3,(H,26,27,28);2-8,13-15H,9-12,16H2,1H3,(H2,24,26,27,28);2-8,13-15H,9-12H2,1H3,(H,24,25,26)/b26-17+;25-16+;25-15+;23-15+.
What are the key properties of 4-N-[(E)-(3-methylphenyl)methylideneamino]-6-morpholin-4-yl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine;N-[(E)-(3-methylphenyl)methylideneamino]-6-morpholin-4-yl-2-pyridin-2-yloxypyrimidin-4-amine;N-[(E)-(3-methylphenyl)methylideneamino]-6-morpholin-4-yl-2-(1-pyridin-2-ylpropan-2-yloxy)pyrimidin-4-amine;N-[(E)-(3-methylphenyl)methylideneamino]-6-morpholin-4-yl-2-(2-pyrimidin-2-ylethoxy)pyrimidin-4-amine?
4-N-[(E)-(3-methylphenyl)methylideneamino]-6-morpholin-4-yl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine;N-[(E)-(3-methylphenyl)methylideneamino]-6-morpholin-4-yl-2-pyridin-2-yloxypyrimidin-4-amine;N-[(E)-(3-methylphenyl)methylideneamino]-6-morpholin-4-yl-2-(1-pyridin-2-ylpropan-2-yloxy)pyrimidin-4-amine;N-[(E)-(3-methylphenyl)methylideneamino]-6-morpholin-4-yl-2-(2-pyrimidin-2-ylethoxy)pyrimidin-4-amine has a molecular weight of 1645.95 g/mol, XLogP of 12.28, 29 rotatable bonds, 5 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(E)-(3-methylphenyl)methylideneamino]-6-morpholin-4-yl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine;N-[(E)-(3-methylphenyl)methylideneamino]-6-morpholin-4-yl-2-pyridin-2-yloxypyrimidin-4-amine;N-[(E)-(3-methylphenyl)methylideneamino]-6-morpholin-4-yl-2-(1-pyridin-2-ylpropan-2-yloxy)pyrimidin-4-amine;N-[(E)-(3-methylphenyl)methylideneamino]-6-morpholin-4-yl-2-(2-pyrimidin-2-ylethoxy)pyrimidin-4-amine is sourced from PubChem (CID 172946817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).