2,4-bis(aminodiazenyl)-5-(5-hydrazinyl-4-methoxy-2-propan-2-ylphenoxy)-1,2,3,4-tetrahydropyrimidine

C14H24N10O2 — CID 118242303

IUPAC2,4-bis(aminodiazenyl)-5-(5-hydrazinyl-4-methoxy-2-propan-2-ylphenoxy)-1,2,3,4-tetrahydropyrimidine
SMILESCOc1cc(C(C)C)c(OC2=CNC(N=NN)NC2N=NN)cc1NN
InChIInChI=1S/C14H24N10O2/c1-7(2)8-4-11(25-3)9(20-15)5-10(8)26-12-6-18-14(22-24-17)19-13(12)21-23-16/h4-7,13-14,18-20H,15H2,1-3H3,(H2,16,21)(H2,17,22)
InChIKeyVCNFVAMFHXOJKA-UHFFFAOYSA-N
MW364.41 g/mol
LogP0.78
Rot. Bonds7

About 2,4-bis(aminodiazenyl)-5-(5-hydrazinyl-4-methoxy-2-propan-2-ylphenoxy)-1,2,3,4-tetrahydropyrimidine

2,4-bis(aminodiazenyl)-5-(5-hydrazinyl-4-methoxy-2-propan-2-ylphenoxy)-1,2,3,4-tetrahydropyrimidine (PubChem CID 118242303) has the molecular formula C14H24N10O2 and a molecular weight of 364.41 g/mol. Its IUPAC name is 2,4-bis(aminodiazenyl)-5-(5-hydrazinyl-4-methoxy-2-propan-2-ylphenoxy)-1,2,3,4-tetrahydropyrimidine.

Molecular Properties

Compound Name2,4-bis(aminodiazenyl)-5-(5-hydrazinyl-4-methoxy-2-propan-2-ylphenoxy)-1,2,3,4-tetrahydropyrimidine
PubChem CID118242303
Molecular FormulaC14H24N10O2
Molecular Weight364.41 g/mol
Exact Mass364.21
IUPAC Name2,4-bis(aminodiazenyl)-5-(5-hydrazinyl-4-methoxy-2-propan-2-ylphenoxy)-1,2,3,4-tetrahydropyrimidine
SMILESCOc1cc(C(C)C)c(OC2=CNC(N=NN)NC2N=NN)cc1NN
InChIInChI=1S/C14H24N10O2/c1-7(2)8-4-11(25-3)9(20-15)5-10(8)26-12-6-18-14(22-24-17)19-13(12)21-23-16/h4-7,13-14,18-20H,15H2,1-3H3,(H2,16,21)(H2,17,22)
InChIKeyVCNFVAMFHXOJKA-UHFFFAOYSA-N
XLogP0.78
TPSA182.05 Ų
H-Bond Donors6
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.41
LogP ≤ 50.78
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,4-bis(aminodiazenyl)-5-(5-hydrazinyl-4-methoxy-2-propan-2-ylphenoxy)-1,2,3,4-tetrahydropyrimidine?
The IUPAC name of 2,4-bis(aminodiazenyl)-5-(5-hydrazinyl-4-methoxy-2-propan-2-ylphenoxy)-1,2,3,4-tetrahydropyrimidine (CID 118242303) is 2,4-bis(aminodiazenyl)-5-(5-hydrazinyl-4-methoxy-2-propan-2-ylphenoxy)-1,2,3,4-tetrahydropyrimidine.
What is the SMILES notation for 2,4-bis(aminodiazenyl)-5-(5-hydrazinyl-4-methoxy-2-propan-2-ylphenoxy)-1,2,3,4-tetrahydropyrimidine?
The canonical SMILES for 2,4-bis(aminodiazenyl)-5-(5-hydrazinyl-4-methoxy-2-propan-2-ylphenoxy)-1,2,3,4-tetrahydropyrimidine is COc1cc(C(C)C)c(OC2=CNC(N=NN)NC2N=NN)cc1NN.
What is the InChIKey of 2,4-bis(aminodiazenyl)-5-(5-hydrazinyl-4-methoxy-2-propan-2-ylphenoxy)-1,2,3,4-tetrahydropyrimidine?
The InChIKey is VCNFVAMFHXOJKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N10O2/c1-7(2)8-4-11(25-3)9(20-15)5-10(8)26-12-6-18-14(22-24-17)19-13(12)21-23-16/h4-7,13-14,18-20H,15H2,1-3H3,(H2,16,21)(H2,17,22).
What are the key properties of 2,4-bis(aminodiazenyl)-5-(5-hydrazinyl-4-methoxy-2-propan-2-ylphenoxy)-1,2,3,4-tetrahydropyrimidine?
2,4-bis(aminodiazenyl)-5-(5-hydrazinyl-4-methoxy-2-propan-2-ylphenoxy)-1,2,3,4-tetrahydropyrimidine has a molecular weight of 364.41 g/mol, XLogP of 0.78, 7 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(aminodiazenyl)-5-(5-hydrazinyl-4-methoxy-2-propan-2-ylphenoxy)-1,2,3,4-tetrahydropyrimidine is sourced from PubChem (CID 118242303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).