6-hydroxy-5-[(4-morpholin-4-ylsulfonylphenyl)diazenyl]-1H-pyrimidine-2,4-dione

C14H15N5O6S — CID 2314995

IUPAC6-hydroxy-5-[(4-morpholin-4-ylsulfonylphenyl)diazenyl]-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]c(O)c(/N=N/c2ccc(S(=O)(=O)N3CCOCC3)cc2)c(=O)[nH]1
InChIInChI=1S/C14H15N5O6S/c20-12-11(13(21)16-14(22)15-12)18-17-9-1-3-10(4-2-9)26(23,24)19-5-7-25-8-6-19/h1-4H,5-8H2,(H3,15,16,20,21,22)/b18-17+
InChIKeyXCJNODQEDKLTFV-ISLYRVAYSA-N
MW381.37 g/mol
LogP0.21
Rot. Bonds4

About 6-hydroxy-5-[(4-morpholin-4-ylsulfonylphenyl)diazenyl]-1H-pyrimidine-2,4-dione

6-hydroxy-5-[(4-morpholin-4-ylsulfonylphenyl)diazenyl]-1H-pyrimidine-2,4-dione (PubChem CID 2314995) has the molecular formula C14H15N5O6S and a molecular weight of 381.37 g/mol. Its IUPAC name is 6-hydroxy-5-[(4-morpholin-4-ylsulfonylphenyl)diazenyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-hydroxy-5-[(4-morpholin-4-ylsulfonylphenyl)diazenyl]-1H-pyrimidine-2,4-dione
PubChem CID2314995
Molecular FormulaC14H15N5O6S
Molecular Weight381.37 g/mol
Exact Mass381.07
IUPAC Name6-hydroxy-5-[(4-morpholin-4-ylsulfonylphenyl)diazenyl]-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]c(O)c(/N=N/c2ccc(S(=O)(=O)N3CCOCC3)cc2)c(=O)[nH]1
InChIInChI=1S/C14H15N5O6S/c20-12-11(13(21)16-14(22)15-12)18-17-9-1-3-10(4-2-9)26(23,24)19-5-7-25-8-6-19/h1-4H,5-8H2,(H3,15,16,20,21,22)/b18-17+
InChIKeyXCJNODQEDKLTFV-ISLYRVAYSA-N
XLogP0.21
TPSA157.28 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.37
LogP ≤ 50.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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-hydroxy-5-[(4-morpholin-4-ylsulfonylphenyl)diazenyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-hydroxy-5-[(4-morpholin-4-ylsulfonylphenyl)diazenyl]-1H-pyrimidine-2,4-dione (CID 2314995) is 6-hydroxy-5-[(4-morpholin-4-ylsulfonylphenyl)diazenyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-hydroxy-5-[(4-morpholin-4-ylsulfonylphenyl)diazenyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-hydroxy-5-[(4-morpholin-4-ylsulfonylphenyl)diazenyl]-1H-pyrimidine-2,4-dione is O=c1[nH]c(O)c(/N=N/c2ccc(S(=O)(=O)N3CCOCC3)cc2)c(=O)[nH]1.
What is the InChIKey of 6-hydroxy-5-[(4-morpholin-4-ylsulfonylphenyl)diazenyl]-1H-pyrimidine-2,4-dione?
The InChIKey is XCJNODQEDKLTFV-ISLYRVAYSA-N. The full InChI is InChI=1S/C14H15N5O6S/c20-12-11(13(21)16-14(22)15-12)18-17-9-1-3-10(4-2-9)26(23,24)19-5-7-25-8-6-19/h1-4H,5-8H2,(H3,15,16,20,21,22)/b18-17+.
What are the key properties of 6-hydroxy-5-[(4-morpholin-4-ylsulfonylphenyl)diazenyl]-1H-pyrimidine-2,4-dione?
6-hydroxy-5-[(4-morpholin-4-ylsulfonylphenyl)diazenyl]-1H-pyrimidine-2,4-dione has a molecular weight of 381.37 g/mol, XLogP of 0.21, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-5-[(4-morpholin-4-ylsulfonylphenyl)diazenyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 2314995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).