N-(benzylideneamino)-6-morpholin-4-ylpyrimidin-4-amine

C15H17N5O — CID 3091834

IUPACN-(benzylideneamino)-6-morpholin-4-ylpyrimidin-4-amine
SMILESC(=NNc1cc(N2CCOCC2)ncn1)c1ccccc1
InChIInChI=1S/C15H17N5O/c1-2-4-13(5-3-1)11-18-19-14-10-15(17-12-16-14)20-6-8-21-9-7-20/h1-5,10-12H,6-9H2,(H,16,17,19)
InChIKeySWJIMUAFVTZVII-UHFFFAOYSA-N
MW283.33 g/mol
LogP1.76
Rot. Bonds4

About N-(benzylideneamino)-6-morpholin-4-ylpyrimidin-4-amine

N-(benzylideneamino)-6-morpholin-4-ylpyrimidin-4-amine (PubChem CID 3091834) has the molecular formula C15H17N5O and a molecular weight of 283.33 g/mol. Its IUPAC name is N-(benzylideneamino)-6-morpholin-4-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(benzylideneamino)-6-morpholin-4-ylpyrimidin-4-amine
PubChem CID3091834
Molecular FormulaC15H17N5O
Molecular Weight283.33 g/mol
Exact Mass283.14
IUPAC NameN-(benzylideneamino)-6-morpholin-4-ylpyrimidin-4-amine
SMILESC(=NNc1cc(N2CCOCC2)ncn1)c1ccccc1
InChIInChI=1S/C15H17N5O/c1-2-4-13(5-3-1)11-18-19-14-10-15(17-12-16-14)20-6-8-21-9-7-20/h1-5,10-12H,6-9H2,(H,16,17,19)
InChIKeySWJIMUAFVTZVII-UHFFFAOYSA-N
XLogP1.76
TPSA62.64 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-[[4-(diethylamino)phenyl]methylideneamino]-6-morpholin-4-ylpyrimidin-4-amine
CID 3091826
N-[(E)-benzylideneamino]-2-morpholin-4-yl-6-piperidin-1-ylpyrimidin-4-amine
CID 172962795
2-methoxy-6-[[(6-morpholin-4-ylpyrimidin-4-yl)hydrazinylidene]methyl]phenol
CID 2842064
N-[(Z)-(4-methylphenyl)methylideneamino]-2,6-dimorpholin-4-ylpyrimidin-4-amine
CID 6252798
N-(benzylideneamino)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine
CID 2849563
6-morpholin-4-yl-N-(2-phenylethyl)pyrimidin-4-amine
CID 112857039
N-[(E)-furan-2-ylmethylideneamino]-6-piperidin-1-ylpyrimidin-4-amine
CID 5332817
4-[(E)-[(2,6-dimorpholin-4-ylpyrimidin-4-yl)hydrazinylidene]methyl]phenol
CID 135501770
N-(6-morpholin-4-ylpyrimidin-4-yl)-3-phenylpropanamide
CID 90544169
4-[(6-morpholin-4-ylpyrimidin-4-yl)amino]benzoic acid
CID 113192860
2-chloro-N-(6-morpholin-4-ylpyrimidin-4-yl)benzamide
CID 90544108
4-(6-phenylpyrimidin-4-yl)morpholine
CID 1082059

Frequently Asked Questions

What is the IUPAC name of N-(benzylideneamino)-6-morpholin-4-ylpyrimidin-4-amine?
The IUPAC name of N-(benzylideneamino)-6-morpholin-4-ylpyrimidin-4-amine (CID 3091834) is N-(benzylideneamino)-6-morpholin-4-ylpyrimidin-4-amine.
What is the SMILES notation for N-(benzylideneamino)-6-morpholin-4-ylpyrimidin-4-amine?
The canonical SMILES for N-(benzylideneamino)-6-morpholin-4-ylpyrimidin-4-amine is C(=NNc1cc(N2CCOCC2)ncn1)c1ccccc1.
What is the InChIKey of N-(benzylideneamino)-6-morpholin-4-ylpyrimidin-4-amine?
The InChIKey is SWJIMUAFVTZVII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O/c1-2-4-13(5-3-1)11-18-19-14-10-15(17-12-16-14)20-6-8-21-9-7-20/h1-5,10-12H,6-9H2,(H,16,17,19).
What are the key properties of N-(benzylideneamino)-6-morpholin-4-ylpyrimidin-4-amine?
N-(benzylideneamino)-6-morpholin-4-ylpyrimidin-4-amine has a molecular weight of 283.33 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzylideneamino)-6-morpholin-4-ylpyrimidin-4-amine is sourced from PubChem (CID 3091834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).