(2,4-dioxo-1H-pyrimidin-5-yl) hydrogen carbonate;hydrate

C5H6N2O6 — CID 23216228

IUPAC(2,4-dioxo-1H-pyrimidin-5-yl) hydrogen carbonate;hydrate
SMILESO.O=C(O)Oc1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C5H4N2O5.H2O/c8-3-2(12-5(10)11)1-6-4(9)7-3;/h1H,(H,10,11)(H2,6,7,8,9);1H2
InChIKeyUTOGZPCIZFAXJZ-UHFFFAOYSA-N
MW190.11 g/mol
LogP-1.70
Rot. Bonds1

About (2,4-dioxo-1H-pyrimidin-5-yl) hydrogen carbonate;hydrate

(2,4-dioxo-1H-pyrimidin-5-yl) hydrogen carbonate;hydrate (PubChem CID 23216228) has the molecular formula C5H6N2O6 and a molecular weight of 190.11 g/mol. Its IUPAC name is (2,4-dioxo-1H-pyrimidin-5-yl) hydrogen carbonate;hydrate.

Molecular Properties

Compound Name(2,4-dioxo-1H-pyrimidin-5-yl) hydrogen carbonate;hydrate
PubChem CID23216228
Molecular FormulaC5H6N2O6
Molecular Weight190.11 g/mol
Exact Mass190.02
IUPAC Name(2,4-dioxo-1H-pyrimidin-5-yl) hydrogen carbonate;hydrate
SMILESO.O=C(O)Oc1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C5H4N2O5.H2O/c8-3-2(12-5(10)11)1-6-4(9)7-3;/h1H,(H,10,11)(H2,6,7,8,9);1H2
InChIKeyUTOGZPCIZFAXJZ-UHFFFAOYSA-N
XLogP-1.70
TPSA143.75 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.11
LogP ≤ 5-1.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2,4-dioxo-1H-pyrimidin-5-yl) hydrogen carbonate;hydrate?
The IUPAC name of (2,4-dioxo-1H-pyrimidin-5-yl) hydrogen carbonate;hydrate (CID 23216228) is (2,4-dioxo-1H-pyrimidin-5-yl) hydrogen carbonate;hydrate.
What is the SMILES notation for (2,4-dioxo-1H-pyrimidin-5-yl) hydrogen carbonate;hydrate?
The canonical SMILES for (2,4-dioxo-1H-pyrimidin-5-yl) hydrogen carbonate;hydrate is O.O=C(O)Oc1c[nH]c(=O)[nH]c1=O.
What is the InChIKey of (2,4-dioxo-1H-pyrimidin-5-yl) hydrogen carbonate;hydrate?
The InChIKey is UTOGZPCIZFAXJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4N2O5.H2O/c8-3-2(12-5(10)11)1-6-4(9)7-3;/h1H,(H,10,11)(H2,6,7,8,9);1H2.
What are the key properties of (2,4-dioxo-1H-pyrimidin-5-yl) hydrogen carbonate;hydrate?
(2,4-dioxo-1H-pyrimidin-5-yl) hydrogen carbonate;hydrate has a molecular weight of 190.11 g/mol, XLogP of -1.70, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dioxo-1H-pyrimidin-5-yl) hydrogen carbonate;hydrate is sourced from PubChem (CID 23216228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).