(4,6-dimethoxypyrimidin-2-yl) methyl carbonate

C8H10N2O5 — CID 67674533

IUPAC(4,6-dimethoxypyrimidin-2-yl) methyl carbonate
SMILESCOC(=O)Oc1nc(OC)cc(OC)n1
InChIInChI=1S/C8H10N2O5/c1-12-5-4-6(13-2)10-7(9-5)15-8(11)14-3/h4H,1-3H3
InChIKeyMLRRKWPPROXDLS-UHFFFAOYSA-N
MW214.18 g/mol
LogP0.64
Rot. Bonds3

About (4,6-dimethoxypyrimidin-2-yl) methyl carbonate

(4,6-dimethoxypyrimidin-2-yl) methyl carbonate (PubChem CID 67674533) has the molecular formula C8H10N2O5 and a molecular weight of 214.18 g/mol. Its IUPAC name is (4,6-dimethoxypyrimidin-2-yl) methyl carbonate.

Molecular Properties

Compound Name(4,6-dimethoxypyrimidin-2-yl) methyl carbonate
PubChem CID67674533
Molecular FormulaC8H10N2O5
Molecular Weight214.18 g/mol
Exact Mass214.06
IUPAC Name(4,6-dimethoxypyrimidin-2-yl) methyl carbonate
SMILESCOC(=O)Oc1nc(OC)cc(OC)n1
InChIInChI=1S/C8H10N2O5/c1-12-5-4-6(13-2)10-7(9-5)15-8(11)14-3/h4H,1-3H3
InChIKeyMLRRKWPPROXDLS-UHFFFAOYSA-N
XLogP0.64
TPSA79.77 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.18
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (4,6-dimethoxypyrimidin-2-yl) methyl carbonate?
The IUPAC name of (4,6-dimethoxypyrimidin-2-yl) methyl carbonate (CID 67674533) is (4,6-dimethoxypyrimidin-2-yl) methyl carbonate.
What is the SMILES notation for (4,6-dimethoxypyrimidin-2-yl) methyl carbonate?
The canonical SMILES for (4,6-dimethoxypyrimidin-2-yl) methyl carbonate is COC(=O)Oc1nc(OC)cc(OC)n1.
What is the InChIKey of (4,6-dimethoxypyrimidin-2-yl) methyl carbonate?
The InChIKey is MLRRKWPPROXDLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O5/c1-12-5-4-6(13-2)10-7(9-5)15-8(11)14-3/h4H,1-3H3.
What are the key properties of (4,6-dimethoxypyrimidin-2-yl) methyl carbonate?
(4,6-dimethoxypyrimidin-2-yl) methyl carbonate has a molecular weight of 214.18 g/mol, XLogP of 0.64, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4,6-dimethoxypyrimidin-2-yl) methyl carbonate is sourced from PubChem (CID 67674533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).