[2-[2-(trideuteriomethoxy)phenyl]pyrimidin-4-yl]methanol

C12H12N2O2 — CID 118157470

IUPAC[2-[2-(trideuteriomethoxy)phenyl]pyrimidin-4-yl]methanol
SMILES[2H]C([2H])([2H])Oc1ccccc1-c1nccc(CO)n1
InChIInChI=1S/C12H12N2O2/c1-16-11-5-3-2-4-10(11)12-13-7-6-9(8-15)14-12/h2-7,15H,8H2,1H3/i1D3
InChIKeyZLQJFZUDUHSAHM-FIBGUPNXSA-N
MW219.26 g/mol
LogP1.64
Rot. Bonds4

About [2-[2-(trideuteriomethoxy)phenyl]pyrimidin-4-yl]methanol

[2-[2-(trideuteriomethoxy)phenyl]pyrimidin-4-yl]methanol (PubChem CID 118157470) has the molecular formula C12H12N2O2 and a molecular weight of 219.26 g/mol. Its IUPAC name is [2-[2-(trideuteriomethoxy)phenyl]pyrimidin-4-yl]methanol.

Molecular Properties

Compound Name[2-[2-(trideuteriomethoxy)phenyl]pyrimidin-4-yl]methanol
PubChem CID118157470
Molecular FormulaC12H12N2O2
Molecular Weight219.26 g/mol
Exact Mass219.11
IUPAC Name[2-[2-(trideuteriomethoxy)phenyl]pyrimidin-4-yl]methanol
SMILES[2H]C([2H])([2H])Oc1ccccc1-c1nccc(CO)n1
InChIInChI=1S/C12H12N2O2/c1-16-11-5-3-2-4-10(11)12-13-7-6-9(8-15)14-12/h2-7,15H,8H2,1H3/i1D3
InChIKeyZLQJFZUDUHSAHM-FIBGUPNXSA-N
XLogP1.64
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.26
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-[2-(trideuteriomethoxy)phenyl]pyrimidin-4-yl]methanol?
The IUPAC name of [2-[2-(trideuteriomethoxy)phenyl]pyrimidin-4-yl]methanol (CID 118157470) is [2-[2-(trideuteriomethoxy)phenyl]pyrimidin-4-yl]methanol.
What is the SMILES notation for [2-[2-(trideuteriomethoxy)phenyl]pyrimidin-4-yl]methanol?
The canonical SMILES for [2-[2-(trideuteriomethoxy)phenyl]pyrimidin-4-yl]methanol is [2H]C([2H])([2H])Oc1ccccc1-c1nccc(CO)n1.
What is the InChIKey of [2-[2-(trideuteriomethoxy)phenyl]pyrimidin-4-yl]methanol?
The InChIKey is ZLQJFZUDUHSAHM-FIBGUPNXSA-N. The full InChI is InChI=1S/C12H12N2O2/c1-16-11-5-3-2-4-10(11)12-13-7-6-9(8-15)14-12/h2-7,15H,8H2,1H3/i1D3.
What are the key properties of [2-[2-(trideuteriomethoxy)phenyl]pyrimidin-4-yl]methanol?
[2-[2-(trideuteriomethoxy)phenyl]pyrimidin-4-yl]methanol has a molecular weight of 219.26 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(trideuteriomethoxy)phenyl]pyrimidin-4-yl]methanol is sourced from PubChem (CID 118157470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).