(2-methylpyrimidin-5-yl) hydrogen carbonate

C6H6N2O3 — CID 66616836

IUPAC(2-methylpyrimidin-5-yl) hydrogen carbonate
SMILESCc1ncc(OC(=O)O)cn1
InChIInChI=1S/C6H6N2O3/c1-4-7-2-5(3-8-4)11-6(9)10/h2-3H,1H3,(H,9,10)
InChIKeyHWBKTIPMXGUFIP-UHFFFAOYSA-N
MW154.12 g/mol
LogP0.84
Rot. Bonds1

About (2-methylpyrimidin-5-yl) hydrogen carbonate

(2-methylpyrimidin-5-yl) hydrogen carbonate (PubChem CID 66616836) has the molecular formula C6H6N2O3 and a molecular weight of 154.12 g/mol. Its IUPAC name is (2-methylpyrimidin-5-yl) hydrogen carbonate.

Molecular Properties

Compound Name(2-methylpyrimidin-5-yl) hydrogen carbonate
PubChem CID66616836
Molecular FormulaC6H6N2O3
Molecular Weight154.12 g/mol
Exact Mass154.04
IUPAC Name(2-methylpyrimidin-5-yl) hydrogen carbonate
SMILESCc1ncc(OC(=O)O)cn1
InChIInChI=1S/C6H6N2O3/c1-4-7-2-5(3-8-4)11-6(9)10/h2-3H,1H3,(H,9,10)
InChIKeyHWBKTIPMXGUFIP-UHFFFAOYSA-N
XLogP0.84
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.12
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-methylpyrimidin-5-yl) hydrogen carbonate?
The IUPAC name of (2-methylpyrimidin-5-yl) hydrogen carbonate (CID 66616836) is (2-methylpyrimidin-5-yl) hydrogen carbonate.
What is the SMILES notation for (2-methylpyrimidin-5-yl) hydrogen carbonate?
The canonical SMILES for (2-methylpyrimidin-5-yl) hydrogen carbonate is Cc1ncc(OC(=O)O)cn1.
What is the InChIKey of (2-methylpyrimidin-5-yl) hydrogen carbonate?
The InChIKey is HWBKTIPMXGUFIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2O3/c1-4-7-2-5(3-8-4)11-6(9)10/h2-3H,1H3,(H,9,10).
What are the key properties of (2-methylpyrimidin-5-yl) hydrogen carbonate?
(2-methylpyrimidin-5-yl) hydrogen carbonate has a molecular weight of 154.12 g/mol, XLogP of 0.84, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylpyrimidin-5-yl) hydrogen carbonate is sourced from PubChem (CID 66616836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).