4-hydroxy-5-[(E)-hydroxyiminomethyl]-2-methyl-1H-pyrimidin-6-one

C6H7N3O3 — CID 135788962

IUPAC4-hydroxy-5-[(E)-hydroxyiminomethyl]-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(O)c(/C=N/O)c(=O)[nH]1
InChIInChI=1S/C6H7N3O3/c1-3-8-5(10)4(2-7-12)6(11)9-3/h2,12H,1H3,(H2,8,9,10,11)/b7-2+
InChIKeyOKEOMRQFEOYORJ-FARCUNLSSA-N
MW169.14 g/mol
LogP-0.41
Rot. Bonds1

About 4-hydroxy-5-[(E)-hydroxyiminomethyl]-2-methyl-1H-pyrimidin-6-one

4-hydroxy-5-[(E)-hydroxyiminomethyl]-2-methyl-1H-pyrimidin-6-one (PubChem CID 135788962) has the molecular formula C6H7N3O3 and a molecular weight of 169.14 g/mol. Its IUPAC name is 4-hydroxy-5-[(E)-hydroxyiminomethyl]-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-hydroxy-5-[(E)-hydroxyiminomethyl]-2-methyl-1H-pyrimidin-6-one
PubChem CID135788962
Molecular FormulaC6H7N3O3
Molecular Weight169.14 g/mol
Exact Mass169.05
IUPAC Name4-hydroxy-5-[(E)-hydroxyiminomethyl]-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(O)c(/C=N/O)c(=O)[nH]1
InChIInChI=1S/C6H7N3O3/c1-3-8-5(10)4(2-7-12)6(11)9-3/h2,12H,1H3,(H2,8,9,10,11)/b7-2+
InChIKeyOKEOMRQFEOYORJ-FARCUNLSSA-N
XLogP-0.41
TPSA98.57 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.14
LogP ≤ 5-0.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5-[(E)-hydroxyiminomethyl]-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-hydroxy-5-[(E)-hydroxyiminomethyl]-2-methyl-1H-pyrimidin-6-one (CID 135788962) is 4-hydroxy-5-[(E)-hydroxyiminomethyl]-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-hydroxy-5-[(E)-hydroxyiminomethyl]-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-hydroxy-5-[(E)-hydroxyiminomethyl]-2-methyl-1H-pyrimidin-6-one is Cc1nc(O)c(/C=N/O)c(=O)[nH]1.
What is the InChIKey of 4-hydroxy-5-[(E)-hydroxyiminomethyl]-2-methyl-1H-pyrimidin-6-one?
The InChIKey is OKEOMRQFEOYORJ-FARCUNLSSA-N. The full InChI is InChI=1S/C6H7N3O3/c1-3-8-5(10)4(2-7-12)6(11)9-3/h2,12H,1H3,(H2,8,9,10,11)/b7-2+.
What are the key properties of 4-hydroxy-5-[(E)-hydroxyiminomethyl]-2-methyl-1H-pyrimidin-6-one?
4-hydroxy-5-[(E)-hydroxyiminomethyl]-2-methyl-1H-pyrimidin-6-one has a molecular weight of 169.14 g/mol, XLogP of -0.41, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5-[(E)-hydroxyiminomethyl]-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135788962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).