azanium 2,4-dioxo-1H-pyrimidine-6-carboxylate

C5H7N3O4 — CID 44621156

IUPACazanium 2,4-dioxo-1H-pyrimidine-6-carboxylate
SMILESO=C([O-])c1cc(=O)[nH]c(=O)[nH]1.[NH4+]
InChIInChI=1S/C5H4N2O4.H3N/c8-3-1-2(4(9)10)6-5(11)7-3;/h1H,(H,9,10)(H2,6,7,8,11);1H3
InChIKeyBLRHHOPYXJENCY-UHFFFAOYSA-N
MW173.13 g/mol
LogP-2.20
Rot. Bonds1

About azanium 2,4-dioxo-1H-pyrimidine-6-carboxylate

azanium 2,4-dioxo-1H-pyrimidine-6-carboxylate (PubChem CID 44621156) has the molecular formula C5H7N3O4 and a molecular weight of 173.13 g/mol. Its IUPAC name is azanium 2,4-dioxo-1H-pyrimidine-6-carboxylate.

Molecular Properties

Compound Nameazanium 2,4-dioxo-1H-pyrimidine-6-carboxylate
PubChem CID44621156
Molecular FormulaC5H7N3O4
Molecular Weight173.13 g/mol
Exact Mass173.04
IUPAC Nameazanium 2,4-dioxo-1H-pyrimidine-6-carboxylate
SMILESO=C([O-])c1cc(=O)[nH]c(=O)[nH]1.[NH4+]
InChIInChI=1S/C5H4N2O4.H3N/c8-3-1-2(4(9)10)6-5(11)7-3;/h1H,(H,9,10)(H2,6,7,8,11);1H3
InChIKeyBLRHHOPYXJENCY-UHFFFAOYSA-N
XLogP-2.20
TPSA142.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.13
LogP ≤ 5-2.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of azanium 2,4-dioxo-1H-pyrimidine-6-carboxylate?
The IUPAC name of azanium 2,4-dioxo-1H-pyrimidine-6-carboxylate (CID 44621156) is azanium 2,4-dioxo-1H-pyrimidine-6-carboxylate.
What is the SMILES notation for azanium 2,4-dioxo-1H-pyrimidine-6-carboxylate?
The canonical SMILES for azanium 2,4-dioxo-1H-pyrimidine-6-carboxylate is O=C([O-])c1cc(=O)[nH]c(=O)[nH]1.[NH4+].
What is the InChIKey of azanium 2,4-dioxo-1H-pyrimidine-6-carboxylate?
The InChIKey is BLRHHOPYXJENCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4N2O4.H3N/c8-3-1-2(4(9)10)6-5(11)7-3;/h1H,(H,9,10)(H2,6,7,8,11);1H3.
What are the key properties of azanium 2,4-dioxo-1H-pyrimidine-6-carboxylate?
azanium 2,4-dioxo-1H-pyrimidine-6-carboxylate has a molecular weight of 173.13 g/mol, XLogP of -2.20, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azanium 2,4-dioxo-1H-pyrimidine-6-carboxylate is sourced from PubChem (CID 44621156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).