5-diazenyl-6-ethyl-N-phenylpyrimidin-4-amine

C12H13N5 — CID 146482366

IUPAC5-diazenyl-6-ethyl-N-phenylpyrimidin-4-amine
SMILES[H]/N=N/c1c(CC)ncnc1Nc1ccccc1
InChIInChI=1S/C12H13N5/c1-2-10-11(17-13)12(15-8-14-10)16-9-6-4-3-5-7-9/h3-8,13H,2H2,1H3,(H,14,15,16)/b17-13+
InChIKeyORNDVRWGXOCQRY-GHRIWEEISA-N
MW227.27 g/mol
LogP3.45
Rot. Bonds4

About 5-diazenyl-6-ethyl-N-phenylpyrimidin-4-amine

5-diazenyl-6-ethyl-N-phenylpyrimidin-4-amine (PubChem CID 146482366) has the molecular formula C12H13N5 and a molecular weight of 227.27 g/mol. Its IUPAC name is 5-diazenyl-6-ethyl-N-phenylpyrimidin-4-amine.

Molecular Properties

Compound Name5-diazenyl-6-ethyl-N-phenylpyrimidin-4-amine
PubChem CID146482366
Molecular FormulaC12H13N5
Molecular Weight227.27 g/mol
Exact Mass227.12
IUPAC Name5-diazenyl-6-ethyl-N-phenylpyrimidin-4-amine
SMILES[H]/N=N/c1c(CC)ncnc1Nc1ccccc1
InChIInChI=1S/C12H13N5/c1-2-10-11(17-13)12(15-8-14-10)16-9-6-4-3-5-7-9/h3-8,13H,2H2,1H3,(H,14,15,16)/b17-13+
InChIKeyORNDVRWGXOCQRY-GHRIWEEISA-N
XLogP3.45
TPSA74.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-diazenyl-6-ethyl-N-phenylpyrimidin-4-amine?
The IUPAC name of 5-diazenyl-6-ethyl-N-phenylpyrimidin-4-amine (CID 146482366) is 5-diazenyl-6-ethyl-N-phenylpyrimidin-4-amine.
What is the SMILES notation for 5-diazenyl-6-ethyl-N-phenylpyrimidin-4-amine?
The canonical SMILES for 5-diazenyl-6-ethyl-N-phenylpyrimidin-4-amine is [H]/N=N/c1c(CC)ncnc1Nc1ccccc1.
What is the InChIKey of 5-diazenyl-6-ethyl-N-phenylpyrimidin-4-amine?
The InChIKey is ORNDVRWGXOCQRY-GHRIWEEISA-N. The full InChI is InChI=1S/C12H13N5/c1-2-10-11(17-13)12(15-8-14-10)16-9-6-4-3-5-7-9/h3-8,13H,2H2,1H3,(H,14,15,16)/b17-13+.
What are the key properties of 5-diazenyl-6-ethyl-N-phenylpyrimidin-4-amine?
5-diazenyl-6-ethyl-N-phenylpyrimidin-4-amine has a molecular weight of 227.27 g/mol, XLogP of 3.45, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-diazenyl-6-ethyl-N-phenylpyrimidin-4-amine is sourced from PubChem (CID 146482366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).