N-[(E)-benzylideneamino]-2-morpholin-4-yl-6-piperidin-1-ylpyrimidin-4-amine

C20H26N6O — CID 172962795

IUPACN-[(E)-benzylideneamino]-2-morpholin-4-yl-6-piperidin-1-ylpyrimidin-4-amine
SMILESC(=N/Nc1cc(N2CCCCC2)nc(N2CCOCC2)n1)\c1ccccc1
InChIInChI=1S/C20H26N6O/c1-3-7-17(8-4-1)16-21-24-18-15-19(25-9-5-2-6-10-25)23-20(22-18)26-11-13-27-14-12-26/h1,3-4,7-8,15-16H,2,5-6,9-14H2,(H,22,23,24)/b21-16+
InChIKeyUOXZNBWONRQYGJ-LTGZKZEYSA-N
MW366.47 g/mol
LogP2.75
Rot. Bonds5

About N-[(E)-benzylideneamino]-2-morpholin-4-yl-6-piperidin-1-ylpyrimidin-4-amine

N-[(E)-benzylideneamino]-2-morpholin-4-yl-6-piperidin-1-ylpyrimidin-4-amine (PubChem CID 172962795) has the molecular formula C20H26N6O and a molecular weight of 366.47 g/mol. Its IUPAC name is N-[(E)-benzylideneamino]-2-morpholin-4-yl-6-piperidin-1-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[(E)-benzylideneamino]-2-morpholin-4-yl-6-piperidin-1-ylpyrimidin-4-amine
PubChem CID172962795
Molecular FormulaC20H26N6O
Molecular Weight366.47 g/mol
Exact Mass366.22
IUPAC NameN-[(E)-benzylideneamino]-2-morpholin-4-yl-6-piperidin-1-ylpyrimidin-4-amine
SMILESC(=N/Nc1cc(N2CCCCC2)nc(N2CCOCC2)n1)\c1ccccc1
InChIInChI=1S/C20H26N6O/c1-3-7-17(8-4-1)16-21-24-18-15-19(25-9-5-2-6-10-25)23-20(22-18)26-11-13-27-14-12-26/h1,3-4,7-8,15-16H,2,5-6,9-14H2,(H,22,23,24)/b21-16+
InChIKeyUOXZNBWONRQYGJ-LTGZKZEYSA-N
XLogP2.75
TPSA65.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

4-[(E)-[(2,6-dimorpholin-4-ylpyrimidin-4-yl)hydrazinylidene]methyl]phenol
CID 135501770
N-[(Z)-(4-methylphenyl)methylideneamino]-2,6-dimorpholin-4-ylpyrimidin-4-amine
CID 6252798
3-[(E)-[[2,6-di(piperidin-1-yl)pyrimidin-4-yl]hydrazinylidene]methyl]phenol
CID 5340802
N-[(3-methylphenyl)methylideneamino]-2,6-di(piperidin-1-yl)pyrimidin-4-amine
CID 4679735
N-[[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-2,6-dimorpholin-4-ylpyrimidin-4-amine
CID 3459854
N-[[4-(diethylamino)phenyl]methylideneamino]-2,6-dimorpholin-4-ylpyrimidin-4-amine
CID 2850296
N-[(2-chlorophenyl)methylideneamino]-2,6-di(piperidin-1-yl)pyrimidin-4-amine
CID 2849982
N-(benzylideneamino)-6-morpholin-4-ylpyrimidin-4-amine
CID 3091834
N-[(E)-furan-2-ylmethylideneamino]-2,6-di(piperidin-1-yl)pyrimidin-4-amine
CID 5340113
N-(benzylideneamino)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine
CID 2849563
2-[[(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)hydrazinylidene]methyl]phenol
CID 2849890
N-[[4-(diethylamino)phenyl]methylideneamino]-2,6-di(piperidin-1-yl)pyrimidin-4-amine
CID 3522387

Frequently Asked Questions

What is the IUPAC name of N-[(E)-benzylideneamino]-2-morpholin-4-yl-6-piperidin-1-ylpyrimidin-4-amine?
The IUPAC name of N-[(E)-benzylideneamino]-2-morpholin-4-yl-6-piperidin-1-ylpyrimidin-4-amine (CID 172962795) is N-[(E)-benzylideneamino]-2-morpholin-4-yl-6-piperidin-1-ylpyrimidin-4-amine.
What is the SMILES notation for N-[(E)-benzylideneamino]-2-morpholin-4-yl-6-piperidin-1-ylpyrimidin-4-amine?
The canonical SMILES for N-[(E)-benzylideneamino]-2-morpholin-4-yl-6-piperidin-1-ylpyrimidin-4-amine is C(=N/Nc1cc(N2CCCCC2)nc(N2CCOCC2)n1)\c1ccccc1.
What is the InChIKey of N-[(E)-benzylideneamino]-2-morpholin-4-yl-6-piperidin-1-ylpyrimidin-4-amine?
The InChIKey is UOXZNBWONRQYGJ-LTGZKZEYSA-N. The full InChI is InChI=1S/C20H26N6O/c1-3-7-17(8-4-1)16-21-24-18-15-19(25-9-5-2-6-10-25)23-20(22-18)26-11-13-27-14-12-26/h1,3-4,7-8,15-16H,2,5-6,9-14H2,(H,22,23,24)/b21-16+.
What are the key properties of N-[(E)-benzylideneamino]-2-morpholin-4-yl-6-piperidin-1-ylpyrimidin-4-amine?
N-[(E)-benzylideneamino]-2-morpholin-4-yl-6-piperidin-1-ylpyrimidin-4-amine has a molecular weight of 366.47 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-benzylideneamino]-2-morpholin-4-yl-6-piperidin-1-ylpyrimidin-4-amine is sourced from PubChem (CID 172962795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).