N-[[4-(diethylamino)phenyl]methylideneamino]-2,6-dimorpholin-4-ylpyrimidin-4-amine

C23H33N7O2 — CID 2850296

IUPACN-[[4-(diethylamino)phenyl]methylideneamino]-2,6-dimorpholin-4-ylpyrimidin-4-amine
SMILESCCN(CC)c1ccc(C=NNc2cc(N3CCOCC3)nc(N3CCOCC3)n2)cc1
InChIInChI=1S/C23H33N7O2/c1-3-28(4-2)20-7-5-19(6-8-20)18-24-27-21-17-22(29-9-13-31-14-10-29)26-23(25-21)30-11-15-32-16-12-30/h5-8,17-18H,3-4,9-16H2,1-2H3,(H,25,26,27)
InChIKeyGVINHNIBLFZRNB-UHFFFAOYSA-N
MW439.56 g/mol
LogP2.44
Rot. Bonds8

About N-[[4-(diethylamino)phenyl]methylideneamino]-2,6-dimorpholin-4-ylpyrimidin-4-amine

N-[[4-(diethylamino)phenyl]methylideneamino]-2,6-dimorpholin-4-ylpyrimidin-4-amine (PubChem CID 2850296) has the molecular formula C23H33N7O2 and a molecular weight of 439.56 g/mol. Its IUPAC name is N-[[4-(diethylamino)phenyl]methylideneamino]-2,6-dimorpholin-4-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[[4-(diethylamino)phenyl]methylideneamino]-2,6-dimorpholin-4-ylpyrimidin-4-amine
PubChem CID2850296
Molecular FormulaC23H33N7O2
Molecular Weight439.56 g/mol
Exact Mass439.27
IUPAC NameN-[[4-(diethylamino)phenyl]methylideneamino]-2,6-dimorpholin-4-ylpyrimidin-4-amine
SMILESCCN(CC)c1ccc(C=NNc2cc(N3CCOCC3)nc(N3CCOCC3)n2)cc1
InChIInChI=1S/C23H33N7O2/c1-3-28(4-2)20-7-5-19(6-8-20)18-24-27-21-17-22(29-9-13-31-14-10-29)26-23(25-21)30-11-15-32-16-12-30/h5-8,17-18H,3-4,9-16H2,1-2H3,(H,25,26,27)
InChIKeyGVINHNIBLFZRNB-UHFFFAOYSA-N
XLogP2.44
TPSA78.35 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.56
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_anil_di_alk(35)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[[4-(diethylamino)phenyl]methylideneamino]-2,6-di(piperidin-1-yl)pyrimidin-4-amine
CID 3522387
N-[(Z)-(4-methylphenyl)methylideneamino]-2,6-dimorpholin-4-ylpyrimidin-4-amine
CID 6252798
N-[[4-(diethylamino)phenyl]methylideneamino]-6-morpholin-4-ylpyrimidin-4-amine
CID 3091826
4-[(E)-[(2,6-dimorpholin-4-ylpyrimidin-4-yl)hydrazinylidene]methyl]phenol
CID 135501770
N-[(E)-benzylideneamino]-2-morpholin-4-yl-6-piperidin-1-ylpyrimidin-4-amine
CID 172962795
N-[[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-2,6-dimorpholin-4-ylpyrimidin-4-amine
CID 3459854
4-bromo-2-[[(2,6-dimorpholin-4-ylpyrimidin-4-yl)hydrazinylidene]methyl]phenol
CID 2852856
N-[[2-[2-(2-methylphenoxy)ethoxy]phenyl]methylideneamino]-2,6-dimorpholin-4-ylpyrimidin-4-amine
CID 3504082
N-[[4-[(2-chlorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methylideneamino]-2,6-dimorpholin-4-ylpyrimidin-4-amine
CID 4292217
N-[[2-[2-(3-methylphenoxy)ethoxy]phenyl]methylideneamino]-2,6-dimorpholin-4-ylpyrimidin-4-amine
CID 4273453
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

Frequently Asked Questions

What is the IUPAC name of N-[[4-(diethylamino)phenyl]methylideneamino]-2,6-dimorpholin-4-ylpyrimidin-4-amine?
The IUPAC name of N-[[4-(diethylamino)phenyl]methylideneamino]-2,6-dimorpholin-4-ylpyrimidin-4-amine (CID 2850296) is N-[[4-(diethylamino)phenyl]methylideneamino]-2,6-dimorpholin-4-ylpyrimidin-4-amine.
What is the SMILES notation for N-[[4-(diethylamino)phenyl]methylideneamino]-2,6-dimorpholin-4-ylpyrimidin-4-amine?
The canonical SMILES for N-[[4-(diethylamino)phenyl]methylideneamino]-2,6-dimorpholin-4-ylpyrimidin-4-amine is CCN(CC)c1ccc(C=NNc2cc(N3CCOCC3)nc(N3CCOCC3)n2)cc1.
What is the InChIKey of N-[[4-(diethylamino)phenyl]methylideneamino]-2,6-dimorpholin-4-ylpyrimidin-4-amine?
The InChIKey is GVINHNIBLFZRNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N7O2/c1-3-28(4-2)20-7-5-19(6-8-20)18-24-27-21-17-22(29-9-13-31-14-10-29)26-23(25-21)30-11-15-32-16-12-30/h5-8,17-18H,3-4,9-16H2,1-2H3,(H,25,26,27).
What are the key properties of N-[[4-(diethylamino)phenyl]methylideneamino]-2,6-dimorpholin-4-ylpyrimidin-4-amine?
N-[[4-(diethylamino)phenyl]methylideneamino]-2,6-dimorpholin-4-ylpyrimidin-4-amine has a molecular weight of 439.56 g/mol, XLogP of 2.44, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(diethylamino)phenyl]methylideneamino]-2,6-dimorpholin-4-ylpyrimidin-4-amine is sourced from PubChem (CID 2850296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).