(2-amino-6-oxo-1H-pyrimidin-4-yl) formate

C5H5N3O3 — CID 89381788

IUPAC(2-amino-6-oxo-1H-pyrimidin-4-yl) formate
SMILESNc1nc(OC=O)cc(=O)[nH]1
InChIInChI=1S/C5H5N3O3/c6-5-7-3(10)1-4(8-5)11-2-9/h1-2H,(H3,6,7,8,10)
InChIKeyQPMABFRCEOGKEU-UHFFFAOYSA-N
MW155.11 g/mol
LogP-1.11
Rot. Bonds2

About (2-amino-6-oxo-1H-pyrimidin-4-yl) formate

(2-amino-6-oxo-1H-pyrimidin-4-yl) formate (PubChem CID 89381788) has the molecular formula C5H5N3O3 and a molecular weight of 155.11 g/mol. Its IUPAC name is (2-amino-6-oxo-1H-pyrimidin-4-yl) formate.

Molecular Properties

Compound Name(2-amino-6-oxo-1H-pyrimidin-4-yl) formate
PubChem CID89381788
Molecular FormulaC5H5N3O3
Molecular Weight155.11 g/mol
Exact Mass155.03
IUPAC Name(2-amino-6-oxo-1H-pyrimidin-4-yl) formate
SMILESNc1nc(OC=O)cc(=O)[nH]1
InChIInChI=1S/C5H5N3O3/c6-5-7-3(10)1-4(8-5)11-2-9/h1-2H,(H3,6,7,8,10)
InChIKeyQPMABFRCEOGKEU-UHFFFAOYSA-N
XLogP-1.11
TPSA98.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.11
LogP ≤ 5-1.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2-amino-6-oxo-1H-pyrimidin-4-yl) formate?
The IUPAC name of (2-amino-6-oxo-1H-pyrimidin-4-yl) formate (CID 89381788) is (2-amino-6-oxo-1H-pyrimidin-4-yl) formate.
What is the SMILES notation for (2-amino-6-oxo-1H-pyrimidin-4-yl) formate?
The canonical SMILES for (2-amino-6-oxo-1H-pyrimidin-4-yl) formate is Nc1nc(OC=O)cc(=O)[nH]1.
What is the InChIKey of (2-amino-6-oxo-1H-pyrimidin-4-yl) formate?
The InChIKey is QPMABFRCEOGKEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N3O3/c6-5-7-3(10)1-4(8-5)11-2-9/h1-2H,(H3,6,7,8,10).
What are the key properties of (2-amino-6-oxo-1H-pyrimidin-4-yl) formate?
(2-amino-6-oxo-1H-pyrimidin-4-yl) formate has a molecular weight of 155.11 g/mol, XLogP of -1.11, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-6-oxo-1H-pyrimidin-4-yl) formate is sourced from PubChem (CID 89381788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).