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

C12H13N5O2 — CID 137199518

IUPAC6-amino-5-[(4-ethylphenyl)diazenyl]-1H-pyrimidine-2,4-dione
SMILESCCc1ccc(/N=N/c2c(N)[nH]c(=O)[nH]c2=O)cc1
InChIInChI=1S/C12H13N5O2/c1-2-7-3-5-8(6-4-7)16-17-9-10(13)14-12(19)15-11(9)18/h3-6H,2H2,1H3,(H4,13,14,15,18,19)/b17-16+
InChIKeyFYEJZRLKVQRMSX-WUKNDPDISA-N
MW259.27 g/mol
LogP1.62
Rot. Bonds3

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

6-amino-5-[(4-ethylphenyl)diazenyl]-1H-pyrimidine-2,4-dione (PubChem CID 137199518) has the molecular formula C12H13N5O2 and a molecular weight of 259.27 g/mol. Its IUPAC name is 6-amino-5-[(4-ethylphenyl)diazenyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-5-[(4-ethylphenyl)diazenyl]-1H-pyrimidine-2,4-dione
PubChem CID137199518
Molecular FormulaC12H13N5O2
Molecular Weight259.27 g/mol
Exact Mass259.11
IUPAC Name6-amino-5-[(4-ethylphenyl)diazenyl]-1H-pyrimidine-2,4-dione
SMILESCCc1ccc(/N=N/c2c(N)[nH]c(=O)[nH]c2=O)cc1
InChIInChI=1S/C12H13N5O2/c1-2-7-3-5-8(6-4-7)16-17-9-10(13)14-12(19)15-11(9)18/h3-6H,2H2,1H3,(H4,13,14,15,18,19)/b17-16+
InChIKeyFYEJZRLKVQRMSX-WUKNDPDISA-N
XLogP1.62
TPSA116.46 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 51.62
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-[(4-ethylphenyl)diazenyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-amino-5-[(4-ethylphenyl)diazenyl]-1H-pyrimidine-2,4-dione (CID 137199518) is 6-amino-5-[(4-ethylphenyl)diazenyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-5-[(4-ethylphenyl)diazenyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-5-[(4-ethylphenyl)diazenyl]-1H-pyrimidine-2,4-dione is CCc1ccc(/N=N/c2c(N)[nH]c(=O)[nH]c2=O)cc1.
What is the InChIKey of 6-amino-5-[(4-ethylphenyl)diazenyl]-1H-pyrimidine-2,4-dione?
The InChIKey is FYEJZRLKVQRMSX-WUKNDPDISA-N. The full InChI is InChI=1S/C12H13N5O2/c1-2-7-3-5-8(6-4-7)16-17-9-10(13)14-12(19)15-11(9)18/h3-6H,2H2,1H3,(H4,13,14,15,18,19)/b17-16+.
What are the key properties of 6-amino-5-[(4-ethylphenyl)diazenyl]-1H-pyrimidine-2,4-dione?
6-amino-5-[(4-ethylphenyl)diazenyl]-1H-pyrimidine-2,4-dione has a molecular weight of 259.27 g/mol, XLogP of 1.62, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-[(4-ethylphenyl)diazenyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 137199518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).