6-(15N)azanyl-(2,6-13C2,1,3-15N2)1H-pyrimidin-2-one

C4H5N3O — CID 66995256

IUPAC6-(15N)azanyl-(2,6-13C2,1,3-15N2)1H-pyrimidin-2-one
SMILES[15NH2][13c]1cc[15n][13c](=O)[15nH]1
InChIInChI=1S/C4H5N3O/c5-3-1-2-6-4(8)7-3/h1-2H,(H3,5,6,7,8)/i3+1,4+1,5+1,6+1,7+1
InChIKeyOPTASPLRGRRNAP-SLOBMOILSA-N
MW116.07 g/mol
LogP-0.65
Rot. Bonds

About 6-(15N)azanyl-(2,6-13C2,1,3-15N2)1H-pyrimidin-2-one

6-(15N)azanyl-(2,6-13C2,1,3-15N2)1H-pyrimidin-2-one (PubChem CID 66995256) has the molecular formula C4H5N3O and a molecular weight of 116.07 g/mol. Its IUPAC name is 6-(15N)azanyl-(2,6-13C2,1,3-15N2)1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-(15N)azanyl-(2,6-13C2,1,3-15N2)1H-pyrimidin-2-one
PubChem CID66995256
Molecular FormulaC4H5N3O
Molecular Weight116.07 g/mol
Exact Mass116.04
IUPAC Name6-(15N)azanyl-(2,6-13C2,1,3-15N2)1H-pyrimidin-2-one
SMILES[15NH2][13c]1cc[15n][13c](=O)[15nH]1
InChIInChI=1S/C4H5N3O/c5-3-1-2-6-4(8)7-3/h1-2H,(H3,5,6,7,8)/i3+1,4+1,5+1,6+1,7+1
InChIKeyOPTASPLRGRRNAP-SLOBMOILSA-N
XLogP-0.65
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.07
LogP ≤ 5-0.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(15N)azanyl-(2,6-13C2,1,3-15N2)1H-pyrimidin-2-one?
The IUPAC name of 6-(15N)azanyl-(2,6-13C2,1,3-15N2)1H-pyrimidin-2-one (CID 66995256) is 6-(15N)azanyl-(2,6-13C2,1,3-15N2)1H-pyrimidin-2-one.
What is the SMILES notation for 6-(15N)azanyl-(2,6-13C2,1,3-15N2)1H-pyrimidin-2-one?
The canonical SMILES for 6-(15N)azanyl-(2,6-13C2,1,3-15N2)1H-pyrimidin-2-one is [15NH2][13c]1cc[15n][13c](=O)[15nH]1.
What is the InChIKey of 6-(15N)azanyl-(2,6-13C2,1,3-15N2)1H-pyrimidin-2-one?
The InChIKey is OPTASPLRGRRNAP-SLOBMOILSA-N. The full InChI is InChI=1S/C4H5N3O/c5-3-1-2-6-4(8)7-3/h1-2H,(H3,5,6,7,8)/i3+1,4+1,5+1,6+1,7+1.
What are the key properties of 6-(15N)azanyl-(2,6-13C2,1,3-15N2)1H-pyrimidin-2-one?
6-(15N)azanyl-(2,6-13C2,1,3-15N2)1H-pyrimidin-2-one has a molecular weight of 116.07 g/mol, XLogP of -0.65, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(15N)azanyl-(2,6-13C2,1,3-15N2)1H-pyrimidin-2-one is sourced from PubChem (CID 66995256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).