6-imidazol-1-yl-2-[2-(methylamino)ethoxy]-N-[(E)-(3-methylphenyl)methylideneamino]pyrimidin-4-amine

C18H21N7O — CID 11494065

IUPAC6-imidazol-1-yl-2-[2-(methylamino)ethoxy]-N-[(E)-(3-methylphenyl)methylideneamino]pyrimidin-4-amine
SMILESCNCCOc1nc(N/N=C/c2cccc(C)c2)cc(-n2ccnc2)n1
InChIInChI=1S/C18H21N7O/c1-14-4-3-5-15(10-14)12-21-24-16-11-17(25-8-6-20-13-25)23-18(22-16)26-9-7-19-2/h3-6,8,10-13,19H,7,9H2,1-2H3,(H,22,23,24)/b21-12+
InChIKeyCOANXVLKSSATAU-CIAFOILYSA-N
MW351.41 g/mol
LogP2.01
Rot. Bonds8

About 6-imidazol-1-yl-2-[2-(methylamino)ethoxy]-N-[(E)-(3-methylphenyl)methylideneamino]pyrimidin-4-amine

6-imidazol-1-yl-2-[2-(methylamino)ethoxy]-N-[(E)-(3-methylphenyl)methylideneamino]pyrimidin-4-amine (PubChem CID 11494065) has the molecular formula C18H21N7O and a molecular weight of 351.41 g/mol. Its IUPAC name is 6-imidazol-1-yl-2-[2-(methylamino)ethoxy]-N-[(E)-(3-methylphenyl)methylideneamino]pyrimidin-4-amine.

Molecular Properties

Compound Name6-imidazol-1-yl-2-[2-(methylamino)ethoxy]-N-[(E)-(3-methylphenyl)methylideneamino]pyrimidin-4-amine
PubChem CID11494065
Molecular FormulaC18H21N7O
Molecular Weight351.41 g/mol
Exact Mass351.18
IUPAC Name6-imidazol-1-yl-2-[2-(methylamino)ethoxy]-N-[(E)-(3-methylphenyl)methylideneamino]pyrimidin-4-amine
SMILESCNCCOc1nc(N/N=C/c2cccc(C)c2)cc(-n2ccnc2)n1
InChIInChI=1S/C18H21N7O/c1-14-4-3-5-15(10-14)12-21-24-16-11-17(25-8-6-20-13-25)23-18(22-16)26-9-7-19-2/h3-6,8,10-13,19H,7,9H2,1-2H3,(H,22,23,24)/b21-12+
InChIKeyCOANXVLKSSATAU-CIAFOILYSA-N
XLogP2.01
TPSA89.25 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 6-imidazol-1-yl-2-[2-(methylamino)ethoxy]-N-[(E)-(3-methylphenyl)methylideneamino]pyrimidin-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-[2-(methylamino)ethoxy]-4-N-[(3-methylphenyl)methylideneamino]pyrimidine-4,6-diamine
CID 66682212
6-(azetidin-1-yl)-N-[(3-methylphenyl)methylideneamino]-2-(2-pyridin-2-ylethoxy)pyrimidin-4-amine
CID 66681684
N-[(E)-(3-methylphenyl)methylideneamino]-6-piperidin-1-yl-2-(2-pyridin-3-yloxyethoxy)pyrimidin-4-amine
CID 89163617
2-[4-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-6-morpholin-4-ylpyrimidin-2-yl]oxyethyl morpholine-4-carboxylate
CID 58613205
N-[(3-methylphenyl)methylideneamino]-2-(2-morpholin-4-ylethoxy)-6-(1,3-thiazolidin-3-yl)pyrimidin-4-amine
CID 66683532
6-[2-(methylamino)ethoxy]-N-[(3-methylphenyl)methylideneamino]-4-morpholin-4-ylpyridin-2-amine
CID 66683567
6-[2-(methylamino)ethoxy]-N-[(E)-(3-methylphenyl)methylideneamino]-4-morpholin-4-ylpyridin-2-amine
CID 11314679
4-N,4-N-dimethyl-6-N-[(E)-(3-methylphenyl)methylideneamino]-2-(2-pyridin-2-ylethoxy)pyrimidine-4,6-diamine
CID 11646521
N-[(E)-(3-methylphenyl)methylideneamino]-6-morpholin-4-yl-2-pyridin-3-yloxypyrimidin-4-amine
CID 10194138
2-(2-methoxy-2-methylpropoxy)-4-N,4-N-dimethyl-6-N-[(E)-(3-methylphenyl)methylideneamino]pyrimidine-4,6-diamine
CID 89358698
N-[(3-fluorophenyl)methylideneamino]-6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-amine
CID 66681810
N-[(3-methylphenyl)methylideneamino]-2,6-di(piperidin-1-yl)pyrimidin-4-amine
CID 4679735

Frequently Asked Questions

What is the IUPAC name of 6-imidazol-1-yl-2-[2-(methylamino)ethoxy]-N-[(E)-(3-methylphenyl)methylideneamino]pyrimidin-4-amine?
The IUPAC name of 6-imidazol-1-yl-2-[2-(methylamino)ethoxy]-N-[(E)-(3-methylphenyl)methylideneamino]pyrimidin-4-amine (CID 11494065) is 6-imidazol-1-yl-2-[2-(methylamino)ethoxy]-N-[(E)-(3-methylphenyl)methylideneamino]pyrimidin-4-amine.
What is the SMILES notation for 6-imidazol-1-yl-2-[2-(methylamino)ethoxy]-N-[(E)-(3-methylphenyl)methylideneamino]pyrimidin-4-amine?
The canonical SMILES for 6-imidazol-1-yl-2-[2-(methylamino)ethoxy]-N-[(E)-(3-methylphenyl)methylideneamino]pyrimidin-4-amine is CNCCOc1nc(N/N=C/c2cccc(C)c2)cc(-n2ccnc2)n1.
What is the InChIKey of 6-imidazol-1-yl-2-[2-(methylamino)ethoxy]-N-[(E)-(3-methylphenyl)methylideneamino]pyrimidin-4-amine?
The InChIKey is COANXVLKSSATAU-CIAFOILYSA-N. The full InChI is InChI=1S/C18H21N7O/c1-14-4-3-5-15(10-14)12-21-24-16-11-17(25-8-6-20-13-25)23-18(22-16)26-9-7-19-2/h3-6,8,10-13,19H,7,9H2,1-2H3,(H,22,23,24)/b21-12+.
What are the key properties of 6-imidazol-1-yl-2-[2-(methylamino)ethoxy]-N-[(E)-(3-methylphenyl)methylideneamino]pyrimidin-4-amine?
6-imidazol-1-yl-2-[2-(methylamino)ethoxy]-N-[(E)-(3-methylphenyl)methylideneamino]pyrimidin-4-amine has a molecular weight of 351.41 g/mol, XLogP of 2.01, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-imidazol-1-yl-2-[2-(methylamino)ethoxy]-N-[(E)-(3-methylphenyl)methylideneamino]pyrimidin-4-amine is sourced from PubChem (CID 11494065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).