N-[(E)-(3-methylphenyl)methylideneamino]-6-morpholin-4-yl-2-pyridin-3-yloxypyrimidin-4-amine

C21H22N6O2 — CID 10194138

IUPACN-[(E)-(3-methylphenyl)methylideneamino]-6-morpholin-4-yl-2-pyridin-3-yloxypyrimidin-4-amine
SMILESCc1cccc(/C=N/Nc2cc(N3CCOCC3)nc(Oc3cccnc3)n2)c1
InChIInChI=1S/C21H22N6O2/c1-16-4-2-5-17(12-16)14-23-26-19-13-20(27-8-10-28-11-9-27)25-21(24-19)29-18-6-3-7-22-15-18/h2-7,12-15H,8-11H2,1H3,(H,24,25,26)/b23-14+
InChIKeyNCIAXDCSYBXVGG-OEAKJJBVSA-N
MW390.45 g/mol
LogP3.25
Rot. Bonds6

About N-[(E)-(3-methylphenyl)methylideneamino]-6-morpholin-4-yl-2-pyridin-3-yloxypyrimidin-4-amine

N-[(E)-(3-methylphenyl)methylideneamino]-6-morpholin-4-yl-2-pyridin-3-yloxypyrimidin-4-amine (PubChem CID 10194138) has the molecular formula C21H22N6O2 and a molecular weight of 390.45 g/mol. Its IUPAC name is N-[(E)-(3-methylphenyl)methylideneamino]-6-morpholin-4-yl-2-pyridin-3-yloxypyrimidin-4-amine.

Molecular Properties

Compound NameN-[(E)-(3-methylphenyl)methylideneamino]-6-morpholin-4-yl-2-pyridin-3-yloxypyrimidin-4-amine
PubChem CID10194138
Molecular FormulaC21H22N6O2
Molecular Weight390.45 g/mol
Exact Mass390.18
IUPAC NameN-[(E)-(3-methylphenyl)methylideneamino]-6-morpholin-4-yl-2-pyridin-3-yloxypyrimidin-4-amine
SMILESCc1cccc(/C=N/Nc2cc(N3CCOCC3)nc(Oc3cccnc3)n2)c1
InChIInChI=1S/C21H22N6O2/c1-16-4-2-5-17(12-16)14-23-26-19-13-20(27-8-10-28-11-9-27)25-21(24-19)29-18-6-3-7-22-15-18/h2-7,12-15H,8-11H2,1H3,(H,24,25,26)/b23-14+
InChIKeyNCIAXDCSYBXVGG-OEAKJJBVSA-N
XLogP3.25
TPSA84.76 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.45
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N-[(E)-(3-methylphenyl)methylideneamino]-6-piperidin-1-yl-2-(2-pyridin-3-yloxyethoxy)pyrimidin-4-amine
CID 89163617
2-[4-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-6-morpholin-4-ylpyrimidin-2-yl]oxyethyl morpholine-4-carboxylate
CID 58613205
(E)-1-(3-methylphenyl)-N-[6-morpholin-4-yl-2-(2-pyridin-3-yloxyethoxy)pyrimidin-4-yl]oxymethanimine
CID 11510369
N-[(E)-(3-methylphenyl)methylideneamino]-4-morpholin-4-yl-6-phenoxypyridin-2-amine
CID 59673970
N-[(E)-(3-methylphenyl)methylideneamino]-6-morpholin-4-yl-4-(2-morpholin-4-ylethoxy)pyridin-2-amine
CID 59673900
N-[(E)-(3-methylphenyl)methylideneamino]-7-morpholin-4-yl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-amine
CID 135338462
N-[(3-methylphenyl)methylideneamino]-2-(2-morpholin-4-ylethoxy)-6-(1,3-thiazolidin-3-yl)pyrimidin-4-amine
CID 66683532
N-[(E)-(3-methylphenyl)methylideneamino]-7-morpholin-4-yl-2-pyrazin-2-ylpyrazolo[1,5-a]pyrimidin-5-amine
CID 173486980
2-N-[(E)-(3-methylphenyl)methylideneamino]-6-morpholin-4-yl-4-N-(2-morpholin-4-ylethyl)pyridine-2,4-diamine
CID 11453023
6-(azetidin-1-yl)-N-[(3-methylphenyl)methylideneamino]-2-(2-pyridin-2-ylethoxy)pyrimidin-4-amine
CID 66681684
2-(3-chloroquinolin-6-yl)oxy-N-[(E)-(3-methylphenyl)methylideneamino]-6-morpholin-4-ylpyrimidin-4-amine;2-(3-fluoroquinolin-6-yl)oxy-N-[(E)-(3-methylphenyl)methylideneamino]-6-morpholin-4-ylpyrimidin-4-amine;N-[(E)-(3-methylphenyl)methylideneamino]-2-(4-methylquinolin-6-yl)oxy-6-morpholin-4-ylpyrimidin-4-amine;N-[(E)-(3-methylphenyl)methylideneamino]-6-morpholin-4-yl-2-(1-pyrimidin-2-ylpropoxy)pyrimidin-4-amine
CID 172956795
3-[4-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-6-morpholin-4-ylpyrimidin-2-yl]-1-pyridin-2-ylpropan-1-ol
CID 11293401

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3-methylphenyl)methylideneamino]-6-morpholin-4-yl-2-pyridin-3-yloxypyrimidin-4-amine?
The IUPAC name of N-[(E)-(3-methylphenyl)methylideneamino]-6-morpholin-4-yl-2-pyridin-3-yloxypyrimidin-4-amine (CID 10194138) is N-[(E)-(3-methylphenyl)methylideneamino]-6-morpholin-4-yl-2-pyridin-3-yloxypyrimidin-4-amine.
What is the SMILES notation for N-[(E)-(3-methylphenyl)methylideneamino]-6-morpholin-4-yl-2-pyridin-3-yloxypyrimidin-4-amine?
The canonical SMILES for N-[(E)-(3-methylphenyl)methylideneamino]-6-morpholin-4-yl-2-pyridin-3-yloxypyrimidin-4-amine is Cc1cccc(/C=N/Nc2cc(N3CCOCC3)nc(Oc3cccnc3)n2)c1.
What is the InChIKey of N-[(E)-(3-methylphenyl)methylideneamino]-6-morpholin-4-yl-2-pyridin-3-yloxypyrimidin-4-amine?
The InChIKey is NCIAXDCSYBXVGG-OEAKJJBVSA-N. The full InChI is InChI=1S/C21H22N6O2/c1-16-4-2-5-17(12-16)14-23-26-19-13-20(27-8-10-28-11-9-27)25-21(24-19)29-18-6-3-7-22-15-18/h2-7,12-15H,8-11H2,1H3,(H,24,25,26)/b23-14+.
What are the key properties of N-[(E)-(3-methylphenyl)methylideneamino]-6-morpholin-4-yl-2-pyridin-3-yloxypyrimidin-4-amine?
N-[(E)-(3-methylphenyl)methylideneamino]-6-morpholin-4-yl-2-pyridin-3-yloxypyrimidin-4-amine has a molecular weight of 390.45 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3-methylphenyl)methylideneamino]-6-morpholin-4-yl-2-pyridin-3-yloxypyrimidin-4-amine is sourced from PubChem (CID 10194138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).