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

C5H4N2O5 — CID 23216229

IUPAC(2,4-dioxo-1H-pyrimidin-5-yl) hydrogen carbonate
SMILESO=C(O)Oc1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C5H4N2O5/c8-3-2(12-5(10)11)1-6-4(9)7-3/h1H,(H,10,11)(H2,6,7,8,9)
InChIKeyLDFRYOHVSASURT-UHFFFAOYSA-N
MW172.10 g/mol
LogP-0.88
Rot. Bonds1

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

(2,4-dioxo-1H-pyrimidin-5-yl) hydrogen carbonate (PubChem CID 23216229) has the molecular formula C5H4N2O5 and a molecular weight of 172.10 g/mol. Its IUPAC name is (2,4-dioxo-1H-pyrimidin-5-yl) hydrogen carbonate.

Molecular Properties

Compound Name(2,4-dioxo-1H-pyrimidin-5-yl) hydrogen carbonate
PubChem CID23216229
Molecular FormulaC5H4N2O5
Molecular Weight172.10 g/mol
Exact Mass172.01
IUPAC Name(2,4-dioxo-1H-pyrimidin-5-yl) hydrogen carbonate
SMILESO=C(O)Oc1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C5H4N2O5/c8-3-2(12-5(10)11)1-6-4(9)7-3/h1H,(H,10,11)(H2,6,7,8,9)
InChIKeyLDFRYOHVSASURT-UHFFFAOYSA-N
XLogP-0.88
TPSA112.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.10
LogP ≤ 5-0.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

Pyrimidine-2,4,5-triol
CID 73268
5-Methoxyuracil
CID 81100
(2,4-dioxo-1H-pyrimidin-5-yl) acetate
CID 325399
Uracil-5-oxyacetic acid
CID 21226116
5-Cyanatouracil
CID 129864132
2-(5-Methoxy-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetic acid
CID 21941130
(2,4-dioxo-1H-pyrimidin-5-yl) hydrogen carbonate;hydrate
CID 23216228
[2,4-dioxo-3-(2-sulfanylethyl)-1H-pyrimidin-5-yl] hydrogen carbonate
CID 57135456
2-(5-methoxy-2,4-dioxo-1H-pyrimidin-3-yl)acetic acid
CID 66603770
(2,4-dioxo-1H-pyrimidin-5-yl) methyl carbonate
CID 91332666
(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl) acetate
CID 101708579
5-methoxy-3-(2-oxoethenyl)-1H-pyrimidine-2,4-dione
CID 118607089

Frequently Asked Questions

What is the IUPAC name of (2,4-dioxo-1H-pyrimidin-5-yl) hydrogen carbonate?
The IUPAC name of (2,4-dioxo-1H-pyrimidin-5-yl) hydrogen carbonate (CID 23216229) is (2,4-dioxo-1H-pyrimidin-5-yl) hydrogen carbonate.
What is the SMILES notation for (2,4-dioxo-1H-pyrimidin-5-yl) hydrogen carbonate?
The canonical SMILES for (2,4-dioxo-1H-pyrimidin-5-yl) hydrogen carbonate is O=C(O)Oc1c[nH]c(=O)[nH]c1=O.
What is the InChIKey of (2,4-dioxo-1H-pyrimidin-5-yl) hydrogen carbonate?
The InChIKey is LDFRYOHVSASURT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4N2O5/c8-3-2(12-5(10)11)1-6-4(9)7-3/h1H,(H,10,11)(H2,6,7,8,9).
What are the key properties of (2,4-dioxo-1H-pyrimidin-5-yl) hydrogen carbonate?
(2,4-dioxo-1H-pyrimidin-5-yl) hydrogen carbonate has a molecular weight of 172.10 g/mol, XLogP of -0.88, 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 is sourced from PubChem (CID 23216229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).