4-[1-[2-(3-methylphenyl)hydrazinyl]ethenyl]-N,N-dipropyl-6-(2-pyridin-2-ylethoxy)pyrimidin-2-amine

C26H34N6O — CID 89163650

IUPAC4-[1-[2-(3-methylphenyl)hydrazinyl]ethenyl]-N,N-dipropyl-6-(2-pyridin-2-ylethoxy)pyrimidin-2-amine
SMILESC=C(NNc1cccc(C)c1)c1cc(OCCc2ccccn2)nc(N(CCC)CCC)n1
InChIInChI=1S/C26H34N6O/c1-5-15-32(16-6-2)26-28-24(21(4)30-31-23-12-9-10-20(3)18-23)19-25(29-26)33-17-13-22-11-7-8-14-27-22/h7-12,14,18-19,30-31H,4-6,13,15-17H2,1-3H3
InChIKeySQLSHUJUZORLLZ-UHFFFAOYSA-N
MW446.60 g/mol
LogP5.02
Rot. Bonds13

About 4-[1-[2-(3-methylphenyl)hydrazinyl]ethenyl]-N,N-dipropyl-6-(2-pyridin-2-ylethoxy)pyrimidin-2-amine

4-[1-[2-(3-methylphenyl)hydrazinyl]ethenyl]-N,N-dipropyl-6-(2-pyridin-2-ylethoxy)pyrimidin-2-amine (PubChem CID 89163650) has the molecular formula C26H34N6O and a molecular weight of 446.60 g/mol. Its IUPAC name is 4-[1-[2-(3-methylphenyl)hydrazinyl]ethenyl]-N,N-dipropyl-6-(2-pyridin-2-ylethoxy)pyrimidin-2-amine.

Molecular Properties

Compound Name4-[1-[2-(3-methylphenyl)hydrazinyl]ethenyl]-N,N-dipropyl-6-(2-pyridin-2-ylethoxy)pyrimidin-2-amine
PubChem CID89163650
Molecular FormulaC26H34N6O
Molecular Weight446.60 g/mol
Exact Mass446.28
IUPAC Name4-[1-[2-(3-methylphenyl)hydrazinyl]ethenyl]-N,N-dipropyl-6-(2-pyridin-2-ylethoxy)pyrimidin-2-amine
SMILESC=C(NNc1cccc(C)c1)c1cc(OCCc2ccccn2)nc(N(CCC)CCC)n1
InChIInChI=1S/C26H34N6O/c1-5-15-32(16-6-2)26-28-24(21(4)30-31-23-12-9-10-20(3)18-23)19-25(29-26)33-17-13-22-11-7-8-14-27-22/h7-12,14,18-19,30-31H,4-6,13,15-17H2,1-3H3
InChIKeySQLSHUJUZORLLZ-UHFFFAOYSA-N
XLogP5.02
TPSA75.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.60
LogP ≤ 55.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[2-(3-methylphenyl)hydrazinyl]ethenyl]-N,N-dipropyl-6-(2-pyridin-2-ylethoxy)pyrimidin-2-amine?
The IUPAC name of 4-[1-[2-(3-methylphenyl)hydrazinyl]ethenyl]-N,N-dipropyl-6-(2-pyridin-2-ylethoxy)pyrimidin-2-amine (CID 89163650) is 4-[1-[2-(3-methylphenyl)hydrazinyl]ethenyl]-N,N-dipropyl-6-(2-pyridin-2-ylethoxy)pyrimidin-2-amine.
What is the SMILES notation for 4-[1-[2-(3-methylphenyl)hydrazinyl]ethenyl]-N,N-dipropyl-6-(2-pyridin-2-ylethoxy)pyrimidin-2-amine?
The canonical SMILES for 4-[1-[2-(3-methylphenyl)hydrazinyl]ethenyl]-N,N-dipropyl-6-(2-pyridin-2-ylethoxy)pyrimidin-2-amine is C=C(NNc1cccc(C)c1)c1cc(OCCc2ccccn2)nc(N(CCC)CCC)n1.
What is the InChIKey of 4-[1-[2-(3-methylphenyl)hydrazinyl]ethenyl]-N,N-dipropyl-6-(2-pyridin-2-ylethoxy)pyrimidin-2-amine?
The InChIKey is SQLSHUJUZORLLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N6O/c1-5-15-32(16-6-2)26-28-24(21(4)30-31-23-12-9-10-20(3)18-23)19-25(29-26)33-17-13-22-11-7-8-14-27-22/h7-12,14,18-19,30-31H,4-6,13,15-17H2,1-3H3.
What are the key properties of 4-[1-[2-(3-methylphenyl)hydrazinyl]ethenyl]-N,N-dipropyl-6-(2-pyridin-2-ylethoxy)pyrimidin-2-amine?
4-[1-[2-(3-methylphenyl)hydrazinyl]ethenyl]-N,N-dipropyl-6-(2-pyridin-2-ylethoxy)pyrimidin-2-amine has a molecular weight of 446.60 g/mol, XLogP of 5.02, 13 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[2-(3-methylphenyl)hydrazinyl]ethenyl]-N,N-dipropyl-6-(2-pyridin-2-ylethoxy)pyrimidin-2-amine is sourced from PubChem (CID 89163650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).