4-imino-2-methoxy-1H-pyrimidin-6-one

C5H7N3O2 — CID 137345950

IUPAC4-imino-2-methoxy-1H-pyrimidin-6-one
SMILES[H]/N=C1\CC(=O)NC(OC)=N1
InChIInChI=1S/C5H7N3O2/c1-10-5-7-3(6)2-4(9)8-5/h2H2,1H3,(H2,6,7,8,9)
InChIKeyNQFOXDYKQBYGDY-UHFFFAOYSA-N
MW141.13 g/mol
LogP-0.51
Rot. Bonds

About 4-imino-2-methoxy-1H-pyrimidin-6-one

4-imino-2-methoxy-1H-pyrimidin-6-one (PubChem CID 137345950) has the molecular formula C5H7N3O2 and a molecular weight of 141.13 g/mol. Its IUPAC name is 4-imino-2-methoxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-imino-2-methoxy-1H-pyrimidin-6-one
PubChem CID137345950
Molecular FormulaC5H7N3O2
Molecular Weight141.13 g/mol
Exact Mass141.05
IUPAC Name4-imino-2-methoxy-1H-pyrimidin-6-one
SMILES[H]/N=C1\CC(=O)NC(OC)=N1
InChIInChI=1S/C5H7N3O2/c1-10-5-7-3(6)2-4(9)8-5/h2H2,1H3,(H2,6,7,8,9)
InChIKeyNQFOXDYKQBYGDY-UHFFFAOYSA-N
XLogP-0.51
TPSA74.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.13
LogP ≤ 5-0.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 4-imino-2-methoxy-1H-pyrimidin-6-one?
The IUPAC name of 4-imino-2-methoxy-1H-pyrimidin-6-one (CID 137345950) is 4-imino-2-methoxy-1H-pyrimidin-6-one.
What is the SMILES notation for 4-imino-2-methoxy-1H-pyrimidin-6-one?
The canonical SMILES for 4-imino-2-methoxy-1H-pyrimidin-6-one is [H]/N=C1\CC(=O)NC(OC)=N1.
What is the InChIKey of 4-imino-2-methoxy-1H-pyrimidin-6-one?
The InChIKey is NQFOXDYKQBYGDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3O2/c1-10-5-7-3(6)2-4(9)8-5/h2H2,1H3,(H2,6,7,8,9).
What are the key properties of 4-imino-2-methoxy-1H-pyrimidin-6-one?
4-imino-2-methoxy-1H-pyrimidin-6-one has a molecular weight of 141.13 g/mol, XLogP of -0.51, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imino-2-methoxy-1H-pyrimidin-6-one is sourced from PubChem (CID 137345950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).