6-amino-5-[(2-chlorophenyl)diazenyl]-1H-pyrimidine-2,4-dione

C10H8ClN5O2 — CID 3650612

IUPAC6-amino-5-[(2-chlorophenyl)diazenyl]-1H-pyrimidine-2,4-dione
SMILESNc1[nH]c(=O)[nH]c(=O)c1/N=N/c1ccccc1Cl
InChIInChI=1S/C10H8ClN5O2/c11-5-3-1-2-4-6(5)15-16-7-8(12)13-10(18)14-9(7)17/h1-4H,(H4,12,13,14,17,18)/b16-15+
InChIKeyXGRNDRAMELXJCP-FOCLMDBBSA-N
MW265.66 g/mol
LogP1.71
Rot. Bonds2

About 6-amino-5-[(2-chlorophenyl)diazenyl]-1H-pyrimidine-2,4-dione

6-amino-5-[(2-chlorophenyl)diazenyl]-1H-pyrimidine-2,4-dione (PubChem CID 3650612) has the molecular formula C10H8ClN5O2 and a molecular weight of 265.66 g/mol. Its IUPAC name is 6-amino-5-[(2-chlorophenyl)diazenyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-5-[(2-chlorophenyl)diazenyl]-1H-pyrimidine-2,4-dione
PubChem CID3650612
Molecular FormulaC10H8ClN5O2
Molecular Weight265.66 g/mol
Exact Mass265.04
IUPAC Name6-amino-5-[(2-chlorophenyl)diazenyl]-1H-pyrimidine-2,4-dione
SMILESNc1[nH]c(=O)[nH]c(=O)c1/N=N/c1ccccc1Cl
InChIInChI=1S/C10H8ClN5O2/c11-5-3-1-2-4-6(5)15-16-7-8(12)13-10(18)14-9(7)17/h1-4H,(H4,12,13,14,17,18)/b16-15+
InChIKeyXGRNDRAMELXJCP-FOCLMDBBSA-N
XLogP1.71
TPSA116.46 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.66
LogP ≤ 51.71
H-Bond Donors ≤ 53
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 6-amino-5-[(2-chlorophenyl)diazenyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-amino-5-[(2-chlorophenyl)diazenyl]-1H-pyrimidine-2,4-dione (CID 3650612) is 6-amino-5-[(2-chlorophenyl)diazenyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-5-[(2-chlorophenyl)diazenyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-5-[(2-chlorophenyl)diazenyl]-1H-pyrimidine-2,4-dione is Nc1[nH]c(=O)[nH]c(=O)c1/N=N/c1ccccc1Cl.
What is the InChIKey of 6-amino-5-[(2-chlorophenyl)diazenyl]-1H-pyrimidine-2,4-dione?
The InChIKey is XGRNDRAMELXJCP-FOCLMDBBSA-N. The full InChI is InChI=1S/C10H8ClN5O2/c11-5-3-1-2-4-6(5)15-16-7-8(12)13-10(18)14-9(7)17/h1-4H,(H4,12,13,14,17,18)/b16-15+.
What are the key properties of 6-amino-5-[(2-chlorophenyl)diazenyl]-1H-pyrimidine-2,4-dione?
6-amino-5-[(2-chlorophenyl)diazenyl]-1H-pyrimidine-2,4-dione has a molecular weight of 265.66 g/mol, XLogP of 1.71, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-[(2-chlorophenyl)diazenyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 3650612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).