(2-propan-2-ylpyrimidin-5-yl) hydrogen carbonate

C8H10N2O3 — CID 66619386

IUPAC(2-propan-2-ylpyrimidin-5-yl) hydrogen carbonate
SMILESCC(C)c1ncc(OC(=O)O)cn1
InChIInChI=1S/C8H10N2O3/c1-5(2)7-9-3-6(4-10-7)13-8(11)12/h3-5H,1-2H3,(H,11,12)
InChIKeyLWTDERZZIMHYCS-UHFFFAOYSA-N
MW182.18 g/mol
LogP1.66
Rot. Bonds2

About (2-propan-2-ylpyrimidin-5-yl) hydrogen carbonate

(2-propan-2-ylpyrimidin-5-yl) hydrogen carbonate (PubChem CID 66619386) has the molecular formula C8H10N2O3 and a molecular weight of 182.18 g/mol. Its IUPAC name is (2-propan-2-ylpyrimidin-5-yl) hydrogen carbonate.

Molecular Properties

Compound Name(2-propan-2-ylpyrimidin-5-yl) hydrogen carbonate
PubChem CID66619386
Molecular FormulaC8H10N2O3
Molecular Weight182.18 g/mol
Exact Mass182.07
IUPAC Name(2-propan-2-ylpyrimidin-5-yl) hydrogen carbonate
SMILESCC(C)c1ncc(OC(=O)O)cn1
InChIInChI=1S/C8H10N2O3/c1-5(2)7-9-3-6(4-10-7)13-8(11)12/h3-5H,1-2H3,(H,11,12)
InChIKeyLWTDERZZIMHYCS-UHFFFAOYSA-N
XLogP1.66
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2-propan-2-ylpyrimidin-5-yl) hydrogen carbonate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2-propan-2-ylpyrimidin-5-yl) hydrogen carbonate?
The IUPAC name of (2-propan-2-ylpyrimidin-5-yl) hydrogen carbonate (CID 66619386) is (2-propan-2-ylpyrimidin-5-yl) hydrogen carbonate.
What is the SMILES notation for (2-propan-2-ylpyrimidin-5-yl) hydrogen carbonate?
The canonical SMILES for (2-propan-2-ylpyrimidin-5-yl) hydrogen carbonate is CC(C)c1ncc(OC(=O)O)cn1.
What is the InChIKey of (2-propan-2-ylpyrimidin-5-yl) hydrogen carbonate?
The InChIKey is LWTDERZZIMHYCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3/c1-5(2)7-9-3-6(4-10-7)13-8(11)12/h3-5H,1-2H3,(H,11,12).
What are the key properties of (2-propan-2-ylpyrimidin-5-yl) hydrogen carbonate?
(2-propan-2-ylpyrimidin-5-yl) hydrogen carbonate has a molecular weight of 182.18 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-propan-2-ylpyrimidin-5-yl) hydrogen carbonate is sourced from PubChem (CID 66619386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).