1,3-diaminopyrimidine-2,4-dione

C4H6N4O2 — CID 22219467

IUPAC1,3-diaminopyrimidine-2,4-dione
SMILESNn1ccc(=O)n(N)c1=O
InChIInChI=1S/C4H6N4O2/c5-7-2-1-3(9)8(6)4(7)10/h1-2H,5-6H2
InChIKeyWSGSLLGTPURFIO-UHFFFAOYSA-N
MW142.12 g/mol
LogP-2.56
Rot. Bonds

About 1,3-diaminopyrimidine-2,4-dione

1,3-diaminopyrimidine-2,4-dione (PubChem CID 22219467) has the molecular formula C4H6N4O2 and a molecular weight of 142.12 g/mol. Its IUPAC name is 1,3-diaminopyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3-diaminopyrimidine-2,4-dione
PubChem CID22219467
Molecular FormulaC4H6N4O2
Molecular Weight142.12 g/mol
Exact Mass142.05
IUPAC Name1,3-diaminopyrimidine-2,4-dione
SMILESNn1ccc(=O)n(N)c1=O
InChIInChI=1S/C4H6N4O2/c5-7-2-1-3(9)8(6)4(7)10/h1-2H,5-6H2
InChIKeyWSGSLLGTPURFIO-UHFFFAOYSA-N
XLogP-2.56
TPSA96.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.12
LogP ≤ 5-2.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,3-diaminopyrimidine-2,4-dione?
The IUPAC name of 1,3-diaminopyrimidine-2,4-dione (CID 22219467) is 1,3-diaminopyrimidine-2,4-dione.
What is the SMILES notation for 1,3-diaminopyrimidine-2,4-dione?
The canonical SMILES for 1,3-diaminopyrimidine-2,4-dione is Nn1ccc(=O)n(N)c1=O.
What is the InChIKey of 1,3-diaminopyrimidine-2,4-dione?
The InChIKey is WSGSLLGTPURFIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N4O2/c5-7-2-1-3(9)8(6)4(7)10/h1-2H,5-6H2.
What are the key properties of 1,3-diaminopyrimidine-2,4-dione?
1,3-diaminopyrimidine-2,4-dione has a molecular weight of 142.12 g/mol, XLogP of -2.56, 0 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diaminopyrimidine-2,4-dione is sourced from PubChem (CID 22219467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).