4-N,4-N-dimethyl-6-N-[(E)-(3-methylphenyl)methylideneamino]-2-(2-pyridin-2-ylethoxy)pyrimidine-4,6-diamine

C21H24N6O — CID 11646521

IUPAC4-N,4-N-dimethyl-6-N-[(E)-(3-methylphenyl)methylideneamino]-2-(2-pyridin-2-ylethoxy)pyrimidine-4,6-diamine
SMILESCc1cccc(/C=N/Nc2cc(N(C)C)nc(OCCc3ccccn3)n2)c1
InChIInChI=1S/C21H24N6O/c1-16-7-6-8-17(13-16)15-23-26-19-14-20(27(2)3)25-21(24-19)28-12-10-18-9-4-5-11-22-18/h4-9,11,13-15H,10,12H2,1-3H3,(H,24,25,26)/b23-15+
InChIKeyYMCZKGCCPKOAOW-HZHRSRAPSA-N
MW376.46 g/mol
LogP3.31
Rot. Bonds8

About 4-N,4-N-dimethyl-6-N-[(E)-(3-methylphenyl)methylideneamino]-2-(2-pyridin-2-ylethoxy)pyrimidine-4,6-diamine

4-N,4-N-dimethyl-6-N-[(E)-(3-methylphenyl)methylideneamino]-2-(2-pyridin-2-ylethoxy)pyrimidine-4,6-diamine (PubChem CID 11646521) has the molecular formula C21H24N6O and a molecular weight of 376.46 g/mol. Its IUPAC name is 4-N,4-N-dimethyl-6-N-[(E)-(3-methylphenyl)methylideneamino]-2-(2-pyridin-2-ylethoxy)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N,4-N-dimethyl-6-N-[(E)-(3-methylphenyl)methylideneamino]-2-(2-pyridin-2-ylethoxy)pyrimidine-4,6-diamine
PubChem CID11646521
Molecular FormulaC21H24N6O
Molecular Weight376.46 g/mol
Exact Mass376.20
IUPAC Name4-N,4-N-dimethyl-6-N-[(E)-(3-methylphenyl)methylideneamino]-2-(2-pyridin-2-ylethoxy)pyrimidine-4,6-diamine
SMILESCc1cccc(/C=N/Nc2cc(N(C)C)nc(OCCc3ccccn3)n2)c1
InChIInChI=1S/C21H24N6O/c1-16-7-6-8-17(13-16)15-23-26-19-14-20(27(2)3)25-21(24-19)28-12-10-18-9-4-5-11-22-18/h4-9,11,13-15H,10,12H2,1-3H3,(H,24,25,26)/b23-15+
InChIKeyYMCZKGCCPKOAOW-HZHRSRAPSA-N
XLogP3.31
TPSA75.53 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

6-(azetidin-1-yl)-N-[(3-methylphenyl)methylideneamino]-2-(2-pyridin-2-ylethoxy)pyrimidin-4-amine
CID 66681684
6-N-[(E)-(3-iodophenyl)methylideneamino]-4-N,4-N-dipropyl-2-(2-pyridin-2-ylethoxy)pyrimidine-4,6-diamine
CID 143533368
2-(2-methoxy-2-methylpropoxy)-4-N,4-N-dimethyl-6-N-[(E)-(3-methylphenyl)methylideneamino]pyrimidine-4,6-diamine
CID 89358698
ethane;N-[(E)-(3-methylphenyl)methylideneamino]-4-piperidin-1-yl-6-(2-pyridin-2-ylethoxy)-1,3,5-triazin-2-amine
CID 143341573
6-[(E)-[(3-methylphenyl)hydrazinylidene]methyl]-N,N-dipropyl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-amine
CID 89332198
6-[(E)-(3-methylphenyl)methylideneamino]oxy-N,N-dipropyl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-amine
CID 89358533
2-[2-(methylamino)ethoxy]-4-N-[(3-methylphenyl)methylideneamino]pyrimidine-4,6-diamine
CID 66682212
N-[(3-fluorophenyl)methylideneamino]-6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-amine
CID 66681810
6-[(E)-[(2,5-dimethylphenyl)hydrazinylidene]methyl]-N,N-dipropyl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-amine
CID 143340667
6-imidazol-1-yl-2-[2-(methylamino)ethoxy]-N-[(E)-(3-methylphenyl)methylideneamino]pyrimidin-4-amine
CID 11494065
N-[(E)-(3-chlorophenyl)methylideneamino]-6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-amine;N-[(E)-(3-fluorophenyl)methylideneamino]-6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-amine;N-[(E)-(3-iodophenyl)methylideneamino]-6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-amine;1-[2-[4-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-6-morpholin-4-ylpyrimidin-2-yl]oxyethyl]pyridin-2-one
CID 172951665
6-[(E)-[(3,4-dimethylphenyl)hydrazinylidene]methyl]-N,N-dipropyl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-amine
CID 89358334

Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-dimethyl-6-N-[(E)-(3-methylphenyl)methylideneamino]-2-(2-pyridin-2-ylethoxy)pyrimidine-4,6-diamine?
The IUPAC name of 4-N,4-N-dimethyl-6-N-[(E)-(3-methylphenyl)methylideneamino]-2-(2-pyridin-2-ylethoxy)pyrimidine-4,6-diamine (CID 11646521) is 4-N,4-N-dimethyl-6-N-[(E)-(3-methylphenyl)methylideneamino]-2-(2-pyridin-2-ylethoxy)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N,4-N-dimethyl-6-N-[(E)-(3-methylphenyl)methylideneamino]-2-(2-pyridin-2-ylethoxy)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N,4-N-dimethyl-6-N-[(E)-(3-methylphenyl)methylideneamino]-2-(2-pyridin-2-ylethoxy)pyrimidine-4,6-diamine is Cc1cccc(/C=N/Nc2cc(N(C)C)nc(OCCc3ccccn3)n2)c1.
What is the InChIKey of 4-N,4-N-dimethyl-6-N-[(E)-(3-methylphenyl)methylideneamino]-2-(2-pyridin-2-ylethoxy)pyrimidine-4,6-diamine?
The InChIKey is YMCZKGCCPKOAOW-HZHRSRAPSA-N. The full InChI is InChI=1S/C21H24N6O/c1-16-7-6-8-17(13-16)15-23-26-19-14-20(27(2)3)25-21(24-19)28-12-10-18-9-4-5-11-22-18/h4-9,11,13-15H,10,12H2,1-3H3,(H,24,25,26)/b23-15+.
What are the key properties of 4-N,4-N-dimethyl-6-N-[(E)-(3-methylphenyl)methylideneamino]-2-(2-pyridin-2-ylethoxy)pyrimidine-4,6-diamine?
4-N,4-N-dimethyl-6-N-[(E)-(3-methylphenyl)methylideneamino]-2-(2-pyridin-2-ylethoxy)pyrimidine-4,6-diamine has a molecular weight of 376.46 g/mol, XLogP of 3.31, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-dimethyl-6-N-[(E)-(3-methylphenyl)methylideneamino]-2-(2-pyridin-2-ylethoxy)pyrimidine-4,6-diamine is sourced from PubChem (CID 11646521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).