6-amino-(213C,1,3-15N2)1H-pyrimidine-2,4-dione

C4H5N3O2 — CID 154624359

IUPAC6-amino-(213C,1,3-15N2)1H-pyrimidine-2,4-dione
SMILESNc1cc(=O)[15nH][13c](=O)[15nH]1
InChIInChI=1S/C4H5N3O2/c5-2-1-3(8)7-4(9)6-2/h1H,(H4,5,6,7,8,9)/i4+1,6+1,7+1
InChIKeyLNDZXOWGUAIUBG-XZQGXACKSA-N
MW130.08 g/mol
LogP-1.35
Rot. Bonds

About 6-amino-(213C,1,3-15N2)1H-pyrimidine-2,4-dione

6-amino-(213C,1,3-15N2)1H-pyrimidine-2,4-dione (PubChem CID 154624359) has the molecular formula C4H5N3O2 and a molecular weight of 130.08 g/mol. Its IUPAC name is 6-amino-(213C,1,3-15N2)1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-(213C,1,3-15N2)1H-pyrimidine-2,4-dione
PubChem CID154624359
Molecular FormulaC4H5N3O2
Molecular Weight130.08 g/mol
Exact Mass130.04
IUPAC Name6-amino-(213C,1,3-15N2)1H-pyrimidine-2,4-dione
SMILESNc1cc(=O)[15nH][13c](=O)[15nH]1
InChIInChI=1S/C4H5N3O2/c5-2-1-3(8)7-4(9)6-2/h1H,(H4,5,6,7,8,9)/i4+1,6+1,7+1
InChIKeyLNDZXOWGUAIUBG-XZQGXACKSA-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-(213C,1,3-15N2)1H-pyrimidine-2,4-dione?
The IUPAC name of 6-amino-(213C,1,3-15N2)1H-pyrimidine-2,4-dione (CID 154624359) is 6-amino-(213C,1,3-15N2)1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-(213C,1,3-15N2)1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-(213C,1,3-15N2)1H-pyrimidine-2,4-dione is Nc1cc(=O)[15nH][13c](=O)[15nH]1.
What is the InChIKey of 6-amino-(213C,1,3-15N2)1H-pyrimidine-2,4-dione?
The InChIKey is LNDZXOWGUAIUBG-XZQGXACKSA-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)/i4+1,6+1,7+1.
What are the key properties of 6-amino-(213C,1,3-15N2)1H-pyrimidine-2,4-dione?
6-amino-(213C,1,3-15N2)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-(213C,1,3-15N2)1H-pyrimidine-2,4-dione is sourced from PubChem (CID 154624359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).