N-[4-[3-(ethylideneamino)-2-(methylideneamino)-5-morpholin-4-ylphenoxy]cyclohexyl]-5-propan-2-ylpyrimidin-2-amine

C26H36N6O2 — CID 139426738

IUPACN-[4-[3-(ethylideneamino)-2-(methylideneamino)-5-morpholin-4-ylphenoxy]cyclohexyl]-5-propan-2-ylpyrimidin-2-amine
SMILESC=Nc1c(/N=C/C)cc(N2CCOCC2)cc1OC1CCC(Nc2ncc(C(C)C)cn2)CC1
InChIInChI=1S/C26H36N6O2/c1-5-28-23-14-21(32-10-12-33-13-11-32)15-24(25(23)27-4)34-22-8-6-20(7-9-22)31-26-29-16-19(17-30-26)18(2)3/h5,14-18,20,22H,4,6-13H2,1-3H3,(H,29,30,31)/b28-5+
InChIKeySHKQYPJUKPVMRS-RSLIBCCBSA-N
MW464.61 g/mol
LogP5.29
Rot. Bonds8

About N-[4-[3-(ethylideneamino)-2-(methylideneamino)-5-morpholin-4-ylphenoxy]cyclohexyl]-5-propan-2-ylpyrimidin-2-amine

N-[4-[3-(ethylideneamino)-2-(methylideneamino)-5-morpholin-4-ylphenoxy]cyclohexyl]-5-propan-2-ylpyrimidin-2-amine (PubChem CID 139426738) has the molecular formula C26H36N6O2 and a molecular weight of 464.61 g/mol. Its IUPAC name is N-[4-[3-(ethylideneamino)-2-(methylideneamino)-5-morpholin-4-ylphenoxy]cyclohexyl]-5-propan-2-ylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[4-[3-(ethylideneamino)-2-(methylideneamino)-5-morpholin-4-ylphenoxy]cyclohexyl]-5-propan-2-ylpyrimidin-2-amine
PubChem CID139426738
Molecular FormulaC26H36N6O2
Molecular Weight464.61 g/mol
Exact Mass464.29
IUPAC NameN-[4-[3-(ethylideneamino)-2-(methylideneamino)-5-morpholin-4-ylphenoxy]cyclohexyl]-5-propan-2-ylpyrimidin-2-amine
SMILESC=Nc1c(/N=C/C)cc(N2CCOCC2)cc1OC1CCC(Nc2ncc(C(C)C)cn2)CC1
InChIInChI=1S/C26H36N6O2/c1-5-28-23-14-21(32-10-12-33-13-11-32)15-24(25(23)27-4)34-22-8-6-20(7-9-22)31-26-29-16-19(17-30-26)18(2)3/h5,14-18,20,22H,4,6-13H2,1-3H3,(H,29,30,31)/b28-5+
InChIKeySHKQYPJUKPVMRS-RSLIBCCBSA-N
XLogP5.29
TPSA84.23 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.61
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze N-[4-[3-(ethylideneamino)-2-(methylideneamino)-5-morpholin-4-ylphenoxy]cyclohexyl]-5-propan-2-ylpyrimidin-2-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

N-[4-[3-(ethylideneamino)-2-(methylideneamino)-5-morpholin-4-ylphenoxy]cyclohexyl]-5,6-dimethylpyrazin-2-amine
CID 134566397
N-[4-[3-(ethylideneamino)-2-(methylideneamino)-5-morpholin-4-ylphenoxy]cyclohexyl]-6-methoxypyridazin-3-amine
CID 134604932
methyl 2-[[4-[3-(ethylideneamino)-2-(methylideneamino)-5-morpholin-4-ylphenoxy]cyclohexyl]amino]pyridine-4-carboxylate
CID 139426788
5-ethyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-2-amine
CID 90454078
6-N-methyl-4-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidine-4,6-diamine;2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyridine-4-carboxylic acid;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-5-propan-2-ylpyrimidin-2-amine
CID 161442099
2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidine-5-carbonitrile
CID 90443904
1-methyl-6-morpholin-4-yl-8-[4-(pyrimidin-2-ylamino)cyclohexyl]oxyquinoxalin-2-one
CID 139342829
N-[4-(3-methyl-7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-5-(1-methylpiperidin-4-yl)pyrimidin-2-amine
CID 121335854
5-fluoro-4-N-methyl-2-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidine-2,4-diamine
CID 121335706
5-[[(2-methyloxolan-3-yl)amino]methyl]-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-2-amine
CID 170121746
2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]-N-[(3S)-oxolan-3-yl]pyrimidine-5-carboxamide
CID 138546172
N-[4-(3-butyl-7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-2-amine
CID 90443908

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(ethylideneamino)-2-(methylideneamino)-5-morpholin-4-ylphenoxy]cyclohexyl]-5-propan-2-ylpyrimidin-2-amine?
The IUPAC name of N-[4-[3-(ethylideneamino)-2-(methylideneamino)-5-morpholin-4-ylphenoxy]cyclohexyl]-5-propan-2-ylpyrimidin-2-amine (CID 139426738) is N-[4-[3-(ethylideneamino)-2-(methylideneamino)-5-morpholin-4-ylphenoxy]cyclohexyl]-5-propan-2-ylpyrimidin-2-amine.
What is the SMILES notation for N-[4-[3-(ethylideneamino)-2-(methylideneamino)-5-morpholin-4-ylphenoxy]cyclohexyl]-5-propan-2-ylpyrimidin-2-amine?
The canonical SMILES for N-[4-[3-(ethylideneamino)-2-(methylideneamino)-5-morpholin-4-ylphenoxy]cyclohexyl]-5-propan-2-ylpyrimidin-2-amine is C=Nc1c(/N=C/C)cc(N2CCOCC2)cc1OC1CCC(Nc2ncc(C(C)C)cn2)CC1.
What is the InChIKey of N-[4-[3-(ethylideneamino)-2-(methylideneamino)-5-morpholin-4-ylphenoxy]cyclohexyl]-5-propan-2-ylpyrimidin-2-amine?
The InChIKey is SHKQYPJUKPVMRS-RSLIBCCBSA-N. The full InChI is InChI=1S/C26H36N6O2/c1-5-28-23-14-21(32-10-12-33-13-11-32)15-24(25(23)27-4)34-22-8-6-20(7-9-22)31-26-29-16-19(17-30-26)18(2)3/h5,14-18,20,22H,4,6-13H2,1-3H3,(H,29,30,31)/b28-5+.
What are the key properties of N-[4-[3-(ethylideneamino)-2-(methylideneamino)-5-morpholin-4-ylphenoxy]cyclohexyl]-5-propan-2-ylpyrimidin-2-amine?
N-[4-[3-(ethylideneamino)-2-(methylideneamino)-5-morpholin-4-ylphenoxy]cyclohexyl]-5-propan-2-ylpyrimidin-2-amine has a molecular weight of 464.61 g/mol, XLogP of 5.29, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(ethylideneamino)-2-(methylideneamino)-5-morpholin-4-ylphenoxy]cyclohexyl]-5-propan-2-ylpyrimidin-2-amine is sourced from PubChem (CID 139426738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).