5-ethanimidoyl-4-hydroxy-2-methyl-1H-pyrimidin-6-one

C7H9N3O2 — CID 143669047

IUPAC5-ethanimidoyl-4-hydroxy-2-methyl-1H-pyrimidin-6-one
SMILES[H]/N=C(\C)c1c(O)nc(C)[nH]c1=O
InChIInChI=1S/C7H9N3O2/c1-3(8)5-6(11)9-4(2)10-7(5)12/h8H,1-2H3,(H2,9,10,11,12)/b8-3+
InChIKeyCYCKYRVVASQZIB-FPYGCLRLSA-N
MW167.17 g/mol
LogP0.17
Rot. Bonds1

About 5-ethanimidoyl-4-hydroxy-2-methyl-1H-pyrimidin-6-one

5-ethanimidoyl-4-hydroxy-2-methyl-1H-pyrimidin-6-one (PubChem CID 143669047) has the molecular formula C7H9N3O2 and a molecular weight of 167.17 g/mol. Its IUPAC name is 5-ethanimidoyl-4-hydroxy-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-ethanimidoyl-4-hydroxy-2-methyl-1H-pyrimidin-6-one
PubChem CID143669047
Molecular FormulaC7H9N3O2
Molecular Weight167.17 g/mol
Exact Mass167.07
IUPAC Name5-ethanimidoyl-4-hydroxy-2-methyl-1H-pyrimidin-6-one
SMILES[H]/N=C(\C)c1c(O)nc(C)[nH]c1=O
InChIInChI=1S/C7H9N3O2/c1-3(8)5-6(11)9-4(2)10-7(5)12/h8H,1-2H3,(H2,9,10,11,12)/b8-3+
InChIKeyCYCKYRVVASQZIB-FPYGCLRLSA-N
XLogP0.17
TPSA89.83 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.17
LogP ≤ 50.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-ethanimidoyl-4-hydroxy-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 5-ethanimidoyl-4-hydroxy-2-methyl-1H-pyrimidin-6-one (CID 143669047) is 5-ethanimidoyl-4-hydroxy-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-ethanimidoyl-4-hydroxy-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 5-ethanimidoyl-4-hydroxy-2-methyl-1H-pyrimidin-6-one is [H]/N=C(\C)c1c(O)nc(C)[nH]c1=O.
What is the InChIKey of 5-ethanimidoyl-4-hydroxy-2-methyl-1H-pyrimidin-6-one?
The InChIKey is CYCKYRVVASQZIB-FPYGCLRLSA-N. The full InChI is InChI=1S/C7H9N3O2/c1-3(8)5-6(11)9-4(2)10-7(5)12/h8H,1-2H3,(H2,9,10,11,12)/b8-3+.
What are the key properties of 5-ethanimidoyl-4-hydroxy-2-methyl-1H-pyrimidin-6-one?
5-ethanimidoyl-4-hydroxy-2-methyl-1H-pyrimidin-6-one has a molecular weight of 167.17 g/mol, XLogP of 0.17, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethanimidoyl-4-hydroxy-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 143669047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).