6-amino-(4,5,6-13C3)1H-pyrimidine-2,4-dione

C4H5N3O2 — CID 169433224

IUPAC6-amino-(4,5,6-13C3)1H-pyrimidine-2,4-dione
SMILESN[13c]1[13cH][13c](=O)[nH]c(=O)[nH]1
InChIInChI=1S/C4H5N3O2/c5-2-1-3(8)7-4(9)6-2/h1H,(H4,5,6,7,8,9)/i1+1,2+1,3+1
InChIKeyLNDZXOWGUAIUBG-VMIGTVKRSA-N
MW130.08 g/mol
LogP-1.35
Rot. Bonds

About 6-amino-(4,5,6-13C3)1H-pyrimidine-2,4-dione

6-amino-(4,5,6-13C3)1H-pyrimidine-2,4-dione (PubChem CID 169433224) has the molecular formula C4H5N3O2 and a molecular weight of 130.08 g/mol. Its IUPAC name is 6-amino-(4,5,6-13C3)1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-(4,5,6-13C3)1H-pyrimidine-2,4-dione
PubChem CID169433224
Molecular FormulaC4H5N3O2
Molecular Weight130.08 g/mol
Exact Mass130.05
IUPAC Name6-amino-(4,5,6-13C3)1H-pyrimidine-2,4-dione
SMILESN[13c]1[13cH][13c](=O)[nH]c(=O)[nH]1
InChIInChI=1S/C4H5N3O2/c5-2-1-3(8)7-4(9)6-2/h1H,(H4,5,6,7,8,9)/i1+1,2+1,3+1
InChIKeyLNDZXOWGUAIUBG-VMIGTVKRSA-N
XLogP-1.35
TPSA91.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.08
LogP ≤ 5-1.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-amino-(4,5,6-13C3)1H-pyrimidine-2,4-dione?
The IUPAC name of 6-amino-(4,5,6-13C3)1H-pyrimidine-2,4-dione (CID 169433224) is 6-amino-(4,5,6-13C3)1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-(4,5,6-13C3)1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-(4,5,6-13C3)1H-pyrimidine-2,4-dione is N[13c]1[13cH][13c](=O)[nH]c(=O)[nH]1.
What is the InChIKey of 6-amino-(4,5,6-13C3)1H-pyrimidine-2,4-dione?
The InChIKey is LNDZXOWGUAIUBG-VMIGTVKRSA-N. The full InChI is InChI=1S/C4H5N3O2/c5-2-1-3(8)7-4(9)6-2/h1H,(H4,5,6,7,8,9)/i1+1,2+1,3+1.
What are the key properties of 6-amino-(4,5,6-13C3)1H-pyrimidine-2,4-dione?
6-amino-(4,5,6-13C3)1H-pyrimidine-2,4-dione has a molecular weight of 130.08 g/mol, XLogP of -1.35, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-(4,5,6-13C3)1H-pyrimidine-2,4-dione is sourced from PubChem (CID 169433224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).