1-aminopyrimidine-2,4-dione;azane

C4H8N4O2 — CID 172697061

IUPAC1-aminopyrimidine-2,4-dione;azane
SMILESN.Nn1ccc(=O)[nH]c1=O
InChIInChI=1S/C4H5N3O2.H3N/c5-7-2-1-3(8)6-4(7)9;/h1-2H,5H2,(H,6,8,9);1H3
InChIKeyCLPSJJFZLOQTOX-UHFFFAOYSA-N
MW144.13 g/mol
LogP-1.59
Rot. Bonds

About 1-aminopyrimidine-2,4-dione;azane

1-aminopyrimidine-2,4-dione;azane (PubChem CID 172697061) has the molecular formula C4H8N4O2 and a molecular weight of 144.13 g/mol. Its IUPAC name is 1-aminopyrimidine-2,4-dione;azane.

Molecular Properties

Compound Name1-aminopyrimidine-2,4-dione;azane
PubChem CID172697061
Molecular FormulaC4H8N4O2
Molecular Weight144.13 g/mol
Exact Mass144.06
IUPAC Name1-aminopyrimidine-2,4-dione;azane
SMILESN.Nn1ccc(=O)[nH]c1=O
InChIInChI=1S/C4H5N3O2.H3N/c5-7-2-1-3(8)6-4(7)9;/h1-2H,5H2,(H,6,8,9);1H3
InChIKeyCLPSJJFZLOQTOX-UHFFFAOYSA-N
XLogP-1.59
TPSA115.88 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.13
LogP ≤ 5-1.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-aminopyrimidine-2,4-dione;azane?
The IUPAC name of 1-aminopyrimidine-2,4-dione;azane (CID 172697061) is 1-aminopyrimidine-2,4-dione;azane.
What is the SMILES notation for 1-aminopyrimidine-2,4-dione;azane?
The canonical SMILES for 1-aminopyrimidine-2,4-dione;azane is N.Nn1ccc(=O)[nH]c1=O.
What is the InChIKey of 1-aminopyrimidine-2,4-dione;azane?
The InChIKey is CLPSJJFZLOQTOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N3O2.H3N/c5-7-2-1-3(8)6-4(7)9;/h1-2H,5H2,(H,6,8,9);1H3.
What are the key properties of 1-aminopyrimidine-2,4-dione;azane?
1-aminopyrimidine-2,4-dione;azane has a molecular weight of 144.13 g/mol, XLogP of -1.59, 0 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-aminopyrimidine-2,4-dione;azane is sourced from PubChem (CID 172697061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).