N-[(Z)-1-(4-butylphenyl)ethylideneamino]-6-morpholin-4-ylpyrimidin-4-amine

C20H27N5O — CID 5379195

IUPACN-[(Z)-1-(4-butylphenyl)ethylideneamino]-6-morpholin-4-ylpyrimidin-4-amine
SMILESCCCCc1ccc(/C(C)=N\Nc2cc(N3CCOCC3)ncn2)cc1
InChIInChI=1S/C20H27N5O/c1-3-4-5-17-6-8-18(9-7-17)16(2)23-24-19-14-20(22-15-21-19)25-10-12-26-13-11-25/h6-9,14-15H,3-5,10-13H2,1-2H3,(H,21,22,24)/b23-16-
InChIKeyKLIVDTMZKJAWMD-KQWNVCNZSA-N
MW353.47 g/mol
LogP3.49
Rot. Bonds7

About N-[(Z)-1-(4-butylphenyl)ethylideneamino]-6-morpholin-4-ylpyrimidin-4-amine

N-[(Z)-1-(4-butylphenyl)ethylideneamino]-6-morpholin-4-ylpyrimidin-4-amine (PubChem CID 5379195) has the molecular formula C20H27N5O and a molecular weight of 353.47 g/mol. Its IUPAC name is N-[(Z)-1-(4-butylphenyl)ethylideneamino]-6-morpholin-4-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[(Z)-1-(4-butylphenyl)ethylideneamino]-6-morpholin-4-ylpyrimidin-4-amine
PubChem CID5379195
Molecular FormulaC20H27N5O
Molecular Weight353.47 g/mol
Exact Mass353.22
IUPAC NameN-[(Z)-1-(4-butylphenyl)ethylideneamino]-6-morpholin-4-ylpyrimidin-4-amine
SMILESCCCCc1ccc(/C(C)=N\Nc2cc(N3CCOCC3)ncn2)cc1
InChIInChI=1S/C20H27N5O/c1-3-4-5-17-6-8-18(9-7-17)16(2)23-24-19-14-20(22-15-21-19)25-10-12-26-13-11-25/h6-9,14-15H,3-5,10-13H2,1-2H3,(H,21,22,24)/b23-16-
InChIKeyKLIVDTMZKJAWMD-KQWNVCNZSA-N
XLogP3.49
TPSA62.64 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 53.49
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'}

Analyze N-[(Z)-1-(4-butylphenyl)ethylideneamino]-6-morpholin-4-ylpyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-N-[(Z)-1-(4-methylphenyl)ethylideneamino]-6-morpholin-4-ylpyrimidin-4-amine
CID 5368217
N-(4-butylphenyl)-4-(6-morpholin-4-ylpyrimidin-4-yl)benzamide
CID 53098930
6-morpholin-4-yl-N-pentylpyrimidin-4-amine
CID 112857074
N-(4-butylphenyl)-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine
CID 99968434
6-morpholin-4-yl-N-(2-phenylethyl)pyrimidin-4-amine
CID 112857039
N-[[4-(diethylamino)phenyl]methylideneamino]-6-morpholin-4-ylpyrimidin-4-amine
CID 3091826
N-(6-morpholin-4-ylpyrimidin-4-yl)-3-phenylpropanamide
CID 90544169
2-(4-methoxyphenyl)-N-(6-morpholin-4-ylpyrimidin-4-yl)acetamide
CID 90544086
4-[(6-morpholin-4-ylpyrimidin-4-yl)amino]benzoic acid
CID 113192860
2-[(6-morpholin-4-ylpyrimidin-4-yl)amino]ethanol
CID 24880632
N-(benzylideneamino)-6-morpholin-4-ylpyrimidin-4-amine
CID 3091834
methyl 4-[(6-morpholin-4-ylpyrimidin-4-yl)amino]benzoate
CID 112857139

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(4-butylphenyl)ethylideneamino]-6-morpholin-4-ylpyrimidin-4-amine?
The IUPAC name of N-[(Z)-1-(4-butylphenyl)ethylideneamino]-6-morpholin-4-ylpyrimidin-4-amine (CID 5379195) is N-[(Z)-1-(4-butylphenyl)ethylideneamino]-6-morpholin-4-ylpyrimidin-4-amine.
What is the SMILES notation for N-[(Z)-1-(4-butylphenyl)ethylideneamino]-6-morpholin-4-ylpyrimidin-4-amine?
The canonical SMILES for N-[(Z)-1-(4-butylphenyl)ethylideneamino]-6-morpholin-4-ylpyrimidin-4-amine is CCCCc1ccc(/C(C)=N\Nc2cc(N3CCOCC3)ncn2)cc1.
What is the InChIKey of N-[(Z)-1-(4-butylphenyl)ethylideneamino]-6-morpholin-4-ylpyrimidin-4-amine?
The InChIKey is KLIVDTMZKJAWMD-KQWNVCNZSA-N. The full InChI is InChI=1S/C20H27N5O/c1-3-4-5-17-6-8-18(9-7-17)16(2)23-24-19-14-20(22-15-21-19)25-10-12-26-13-11-25/h6-9,14-15H,3-5,10-13H2,1-2H3,(H,21,22,24)/b23-16-.
What are the key properties of N-[(Z)-1-(4-butylphenyl)ethylideneamino]-6-morpholin-4-ylpyrimidin-4-amine?
N-[(Z)-1-(4-butylphenyl)ethylideneamino]-6-morpholin-4-ylpyrimidin-4-amine has a molecular weight of 353.47 g/mol, XLogP of 3.49, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(4-butylphenyl)ethylideneamino]-6-morpholin-4-ylpyrimidin-4-amine is sourced from PubChem (CID 5379195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).