6-[(E)-[(2,5-dimethylphenyl)hydrazinylidene]methyl]-N,N-dipropyl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-amine

C26H34N6O — CID 143340667

IUPAC6-[(E)-[(2,5-dimethylphenyl)hydrazinylidene]methyl]-N,N-dipropyl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-amine
SMILESCCCN(CCC)c1cc(/C=N/Nc2cc(C)ccc2C)nc(OCCc2ccccn2)n1
InChIInChI=1S/C26H34N6O/c1-5-14-32(15-6-2)25-18-23(19-28-31-24-17-20(3)10-11-21(24)4)29-26(30-25)33-16-12-22-9-7-8-13-27-22/h7-11,13,17-19,31H,5-6,12,14-16H2,1-4H3/b28-19+
InChIKeyUTNMAMZTRDDKDF-TURZUDJPSA-N
MW446.60 g/mol
LogP5.18
Rot. Bonds12

About 6-[(E)-[(2,5-dimethylphenyl)hydrazinylidene]methyl]-N,N-dipropyl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-amine

6-[(E)-[(2,5-dimethylphenyl)hydrazinylidene]methyl]-N,N-dipropyl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-amine (PubChem CID 143340667) has the molecular formula C26H34N6O and a molecular weight of 446.60 g/mol. Its IUPAC name is 6-[(E)-[(2,5-dimethylphenyl)hydrazinylidene]methyl]-N,N-dipropyl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-amine.

Molecular Properties

Compound Name6-[(E)-[(2,5-dimethylphenyl)hydrazinylidene]methyl]-N,N-dipropyl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-amine
PubChem CID143340667
Molecular FormulaC26H34N6O
Molecular Weight446.60 g/mol
Exact Mass446.28
IUPAC Name6-[(E)-[(2,5-dimethylphenyl)hydrazinylidene]methyl]-N,N-dipropyl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-amine
SMILESCCCN(CCC)c1cc(/C=N/Nc2cc(C)ccc2C)nc(OCCc2ccccn2)n1
InChIInChI=1S/C26H34N6O/c1-5-14-32(15-6-2)25-18-23(19-28-31-24-17-20(3)10-11-21(24)4)29-26(30-25)33-16-12-22-9-7-8-13-27-22/h7-11,13,17-19,31H,5-6,12,14-16H2,1-4H3/b28-19+
InChIKeyUTNMAMZTRDDKDF-TURZUDJPSA-N
XLogP5.18
TPSA75.53 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.60
LogP ≤ 55.18
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-[(E)-[(3,4-dimethylphenyl)hydrazinylidene]methyl]-N,N-dipropyl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-amine
CID 89358334
6-[(E)-[(3-methylphenyl)hydrazinylidene]methyl]-N,N-dipropyl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-amine
CID 89332198
4-[(2E)-2-[[6-[butyl(propyl)amino]-2-(2-pyridin-2-ylethoxy)pyrimidin-4-yl]methylidene]hydrazinyl]phenol
CID 143847127
2-N-[(E)-[4-(dipropylamino)-6-(2-pyridin-2-ylethoxy)pyrimidin-2-yl]methylideneamino]-4-methylbenzene-1,2-diamine;ethane
CID 143341180
6-N-[(E)-(3-iodophenyl)methylideneamino]-4-N,4-N-dipropyl-2-(2-pyridin-2-ylethoxy)pyrimidine-4,6-diamine
CID 143533368
6-[(E)-(3-methylphenyl)methylideneamino]oxy-N,N-dipropyl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-amine
CID 89358533
2-[(E)-[(4,5-dimethylfuran-2-yl)hydrazinylidene]methyl]-N,N-dipropyl-6-(2-pyridin-2-ylethoxy)pyridin-4-amine;ethane
CID 143340929
N-[(E)-[4-(dipropylamino)-6-(2-pyridin-2-ylethoxy)pyrimidin-2-yl]methylideneamino]-1H-indol-3-amine
CID 89332059
4-methyl-2-N-[[6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-yl]methylideneamino]benzene-1,2-diamine
CID 66648013
2-[(E)-(naphthalen-2-ylhydrazinylidene)methyl]-N,N-dipropyl-6-(2-pyridin-2-ylethoxy)pyridin-4-amine
CID 143341085
4-N,4-N-dimethyl-6-N-[(E)-(3-methylphenyl)methylideneamino]-2-(2-pyridin-2-ylethoxy)pyrimidine-4,6-diamine
CID 11646521
2-[2-[ethyl(pentyl)amino]ethoxy]-6-[(E)-(naphthalen-2-ylhydrazinylidene)methyl]-N,N-dipropylpyrimidin-4-amine
CID 143340641

Frequently Asked Questions

What is the IUPAC name of 6-[(E)-[(2,5-dimethylphenyl)hydrazinylidene]methyl]-N,N-dipropyl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-amine?
The IUPAC name of 6-[(E)-[(2,5-dimethylphenyl)hydrazinylidene]methyl]-N,N-dipropyl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-amine (CID 143340667) is 6-[(E)-[(2,5-dimethylphenyl)hydrazinylidene]methyl]-N,N-dipropyl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-amine.
What is the SMILES notation for 6-[(E)-[(2,5-dimethylphenyl)hydrazinylidene]methyl]-N,N-dipropyl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-amine?
The canonical SMILES for 6-[(E)-[(2,5-dimethylphenyl)hydrazinylidene]methyl]-N,N-dipropyl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-amine is CCCN(CCC)c1cc(/C=N/Nc2cc(C)ccc2C)nc(OCCc2ccccn2)n1.
What is the InChIKey of 6-[(E)-[(2,5-dimethylphenyl)hydrazinylidene]methyl]-N,N-dipropyl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-amine?
The InChIKey is UTNMAMZTRDDKDF-TURZUDJPSA-N. The full InChI is InChI=1S/C26H34N6O/c1-5-14-32(15-6-2)25-18-23(19-28-31-24-17-20(3)10-11-21(24)4)29-26(30-25)33-16-12-22-9-7-8-13-27-22/h7-11,13,17-19,31H,5-6,12,14-16H2,1-4H3/b28-19+.
What are the key properties of 6-[(E)-[(2,5-dimethylphenyl)hydrazinylidene]methyl]-N,N-dipropyl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-amine?
6-[(E)-[(2,5-dimethylphenyl)hydrazinylidene]methyl]-N,N-dipropyl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-amine has a molecular weight of 446.60 g/mol, XLogP of 5.18, 12 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(E)-[(2,5-dimethylphenyl)hydrazinylidene]methyl]-N,N-dipropyl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-amine is sourced from PubChem (CID 143340667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).