4-(aminomethoxy)-1H-pyrimidin-6-one

C5H7N3O2 — CID 174857239

IUPAC4-(aminomethoxy)-1H-pyrimidin-6-one
SMILESNCOc1cc(=O)[nH]cn1
InChIInChI=1S/C5H7N3O2/c6-2-10-5-1-4(9)7-3-8-5/h1,3H,2,6H2,(H,7,8,9)
InChIKeyJOTUWFNNHBNDAY-UHFFFAOYSA-N
MW141.13 g/mol
LogP-0.94
Rot. Bonds2

About 4-(aminomethoxy)-1H-pyrimidin-6-one

4-(aminomethoxy)-1H-pyrimidin-6-one (PubChem CID 174857239) has the molecular formula C5H7N3O2 and a molecular weight of 141.13 g/mol. Its IUPAC name is 4-(aminomethoxy)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(aminomethoxy)-1H-pyrimidin-6-one
PubChem CID174857239
Molecular FormulaC5H7N3O2
Molecular Weight141.13 g/mol
Exact Mass141.05
IUPAC Name4-(aminomethoxy)-1H-pyrimidin-6-one
SMILESNCOc1cc(=O)[nH]cn1
InChIInChI=1S/C5H7N3O2/c6-2-10-5-1-4(9)7-3-8-5/h1,3H,2,6H2,(H,7,8,9)
InChIKeyJOTUWFNNHBNDAY-UHFFFAOYSA-N
XLogP-0.94
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.13
LogP ≤ 5-0.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethoxy)-1H-pyrimidin-6-one?
The IUPAC name of 4-(aminomethoxy)-1H-pyrimidin-6-one (CID 174857239) is 4-(aminomethoxy)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(aminomethoxy)-1H-pyrimidin-6-one?
The canonical SMILES for 4-(aminomethoxy)-1H-pyrimidin-6-one is NCOc1cc(=O)[nH]cn1.
What is the InChIKey of 4-(aminomethoxy)-1H-pyrimidin-6-one?
The InChIKey is JOTUWFNNHBNDAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3O2/c6-2-10-5-1-4(9)7-3-8-5/h1,3H,2,6H2,(H,7,8,9).
What are the key properties of 4-(aminomethoxy)-1H-pyrimidin-6-one?
4-(aminomethoxy)-1H-pyrimidin-6-one has a molecular weight of 141.13 g/mol, XLogP of -0.94, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethoxy)-1H-pyrimidin-6-one is sourced from PubChem (CID 174857239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).