2-amino-5-[(2,4-difluorophenyl)diazenyl]-4-hydroxy-1H-pyrimidin-6-one

C10H7F2N5O2 — CID 3639746

IUPAC2-amino-5-[(2,4-difluorophenyl)diazenyl]-4-hydroxy-1H-pyrimidin-6-one
SMILESNc1nc(O)c(/N=N/c2ccc(F)cc2F)c(=O)[nH]1
InChIInChI=1S/C10H7F2N5O2/c11-4-1-2-6(5(12)3-4)16-17-7-8(18)14-10(13)15-9(7)19/h1-3H,(H4,13,14,15,18,19)/b17-16+
InChIKeyFMZMGLRALJAFFM-WUKNDPDISA-N
MW267.19 g/mol
LogP1.75
Rot. Bonds2

About 2-amino-5-[(2,4-difluorophenyl)diazenyl]-4-hydroxy-1H-pyrimidin-6-one

2-amino-5-[(2,4-difluorophenyl)diazenyl]-4-hydroxy-1H-pyrimidin-6-one (PubChem CID 3639746) has the molecular formula C10H7F2N5O2 and a molecular weight of 267.19 g/mol. Its IUPAC name is 2-amino-5-[(2,4-difluorophenyl)diazenyl]-4-hydroxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-amino-5-[(2,4-difluorophenyl)diazenyl]-4-hydroxy-1H-pyrimidin-6-one
PubChem CID3639746
Molecular FormulaC10H7F2N5O2
Molecular Weight267.19 g/mol
Exact Mass267.06
IUPAC Name2-amino-5-[(2,4-difluorophenyl)diazenyl]-4-hydroxy-1H-pyrimidin-6-one
SMILESNc1nc(O)c(/N=N/c2ccc(F)cc2F)c(=O)[nH]1
InChIInChI=1S/C10H7F2N5O2/c11-4-1-2-6(5(12)3-4)16-17-7-8(18)14-10(13)15-9(7)19/h1-3H,(H4,13,14,15,18,19)/b17-16+
InChIKeyFMZMGLRALJAFFM-WUKNDPDISA-N
XLogP1.75
TPSA116.72 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.19
LogP ≤ 51.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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 2-amino-5-[(2,4-difluorophenyl)diazenyl]-4-hydroxy-1H-pyrimidin-6-one?
The IUPAC name of 2-amino-5-[(2,4-difluorophenyl)diazenyl]-4-hydroxy-1H-pyrimidin-6-one (CID 3639746) is 2-amino-5-[(2,4-difluorophenyl)diazenyl]-4-hydroxy-1H-pyrimidin-6-one.
What is the SMILES notation for 2-amino-5-[(2,4-difluorophenyl)diazenyl]-4-hydroxy-1H-pyrimidin-6-one?
The canonical SMILES for 2-amino-5-[(2,4-difluorophenyl)diazenyl]-4-hydroxy-1H-pyrimidin-6-one is Nc1nc(O)c(/N=N/c2ccc(F)cc2F)c(=O)[nH]1.
What is the InChIKey of 2-amino-5-[(2,4-difluorophenyl)diazenyl]-4-hydroxy-1H-pyrimidin-6-one?
The InChIKey is FMZMGLRALJAFFM-WUKNDPDISA-N. The full InChI is InChI=1S/C10H7F2N5O2/c11-4-1-2-6(5(12)3-4)16-17-7-8(18)14-10(13)15-9(7)19/h1-3H,(H4,13,14,15,18,19)/b17-16+.
What are the key properties of 2-amino-5-[(2,4-difluorophenyl)diazenyl]-4-hydroxy-1H-pyrimidin-6-one?
2-amino-5-[(2,4-difluorophenyl)diazenyl]-4-hydroxy-1H-pyrimidin-6-one has a molecular weight of 267.19 g/mol, XLogP of 1.75, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[(2,4-difluorophenyl)diazenyl]-4-hydroxy-1H-pyrimidin-6-one is sourced from PubChem (CID 3639746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).