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

C6H6N2O5 — CID 91332666

IUPAC(2,4-dioxo-1H-pyrimidin-5-yl) methyl carbonate
SMILESCOC(=O)Oc1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C6H6N2O5/c1-12-6(11)13-3-2-7-5(10)8-4(3)9/h2H,1H3,(H2,7,8,9,10)
InChIKeyVGVAZLBOHICQEJ-UHFFFAOYSA-N
MW186.12 g/mol
LogP-0.79
Rot. Bonds1

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

(2,4-dioxo-1H-pyrimidin-5-yl) methyl carbonate (PubChem CID 91332666) has the molecular formula C6H6N2O5 and a molecular weight of 186.12 g/mol. Its IUPAC name is (2,4-dioxo-1H-pyrimidin-5-yl) methyl carbonate.

Molecular Properties

Compound Name(2,4-dioxo-1H-pyrimidin-5-yl) methyl carbonate
PubChem CID91332666
Molecular FormulaC6H6N2O5
Molecular Weight186.12 g/mol
Exact Mass186.03
IUPAC Name(2,4-dioxo-1H-pyrimidin-5-yl) methyl carbonate
SMILESCOC(=O)Oc1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C6H6N2O5/c1-12-6(11)13-3-2-7-5(10)8-4(3)9/h2H,1H3,(H2,7,8,9,10)
InChIKeyVGVAZLBOHICQEJ-UHFFFAOYSA-N
XLogP-0.79
TPSA101.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.12
LogP ≤ 5-0.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2,4-dioxo-1H-pyrimidin-5-yl) methyl carbonate?
The IUPAC name of (2,4-dioxo-1H-pyrimidin-5-yl) methyl carbonate (CID 91332666) is (2,4-dioxo-1H-pyrimidin-5-yl) methyl carbonate.
What is the SMILES notation for (2,4-dioxo-1H-pyrimidin-5-yl) methyl carbonate?
The canonical SMILES for (2,4-dioxo-1H-pyrimidin-5-yl) methyl carbonate is COC(=O)Oc1c[nH]c(=O)[nH]c1=O.
What is the InChIKey of (2,4-dioxo-1H-pyrimidin-5-yl) methyl carbonate?
The InChIKey is VGVAZLBOHICQEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2O5/c1-12-6(11)13-3-2-7-5(10)8-4(3)9/h2H,1H3,(H2,7,8,9,10).
What are the key properties of (2,4-dioxo-1H-pyrimidin-5-yl) methyl carbonate?
(2,4-dioxo-1H-pyrimidin-5-yl) methyl carbonate has a molecular weight of 186.12 g/mol, XLogP of -0.79, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dioxo-1H-pyrimidin-5-yl) methyl carbonate is sourced from PubChem (CID 91332666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).