5-anilino-4-hydroxy-1H-pyrimidin-6-one

C10H9N3O2 — CID 166448781

IUPAC5-anilino-4-hydroxy-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(O)c1Nc1ccccc1
InChIInChI=1S/C10H9N3O2/c14-9-8(10(15)12-6-11-9)13-7-4-2-1-3-5-7/h1-6,13H,(H2,11,12,14,15)
InChIKeyFNHUPIOKDIHGDH-UHFFFAOYSA-N
MW203.20 g/mol
LogP1.22
Rot. Bonds2

About 5-anilino-4-hydroxy-1H-pyrimidin-6-one

5-anilino-4-hydroxy-1H-pyrimidin-6-one (PubChem CID 166448781) has the molecular formula C10H9N3O2 and a molecular weight of 203.20 g/mol. Its IUPAC name is 5-anilino-4-hydroxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-anilino-4-hydroxy-1H-pyrimidin-6-one
PubChem CID166448781
Molecular FormulaC10H9N3O2
Molecular Weight203.20 g/mol
Exact Mass203.07
IUPAC Name5-anilino-4-hydroxy-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(O)c1Nc1ccccc1
InChIInChI=1S/C10H9N3O2/c14-9-8(10(15)12-6-11-9)13-7-4-2-1-3-5-7/h1-6,13H,(H2,11,12,14,15)
InChIKeyFNHUPIOKDIHGDH-UHFFFAOYSA-N
XLogP1.22
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.20
LogP ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-anilino-4-hydroxy-1H-pyrimidin-6-one?
The IUPAC name of 5-anilino-4-hydroxy-1H-pyrimidin-6-one (CID 166448781) is 5-anilino-4-hydroxy-1H-pyrimidin-6-one.
What is the SMILES notation for 5-anilino-4-hydroxy-1H-pyrimidin-6-one?
The canonical SMILES for 5-anilino-4-hydroxy-1H-pyrimidin-6-one is O=c1[nH]cnc(O)c1Nc1ccccc1.
What is the InChIKey of 5-anilino-4-hydroxy-1H-pyrimidin-6-one?
The InChIKey is FNHUPIOKDIHGDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O2/c14-9-8(10(15)12-6-11-9)13-7-4-2-1-3-5-7/h1-6,13H,(H2,11,12,14,15).
What are the key properties of 5-anilino-4-hydroxy-1H-pyrimidin-6-one?
5-anilino-4-hydroxy-1H-pyrimidin-6-one has a molecular weight of 203.20 g/mol, XLogP of 1.22, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-anilino-4-hydroxy-1H-pyrimidin-6-one is sourced from PubChem (CID 166448781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).