(4-methoxypyrimidin-5-yl)methanol

C6H8N2O2 — CID 86715279

IUPAC(4-methoxypyrimidin-5-yl)methanol
SMILESCOc1ncncc1CO
InChIInChI=1S/C6H8N2O2/c1-10-6-5(3-9)2-7-4-8-6/h2,4,9H,3H2,1H3
InChIKeyBKVNEMOKQLNYOT-UHFFFAOYSA-N
MW140.14 g/mol
LogP-0.02
Rot. Bonds2

About (4-methoxypyrimidin-5-yl)methanol

(4-methoxypyrimidin-5-yl)methanol (PubChem CID 86715279) has the molecular formula C6H8N2O2 and a molecular weight of 140.14 g/mol. Its IUPAC name is (4-methoxypyrimidin-5-yl)methanol.

Molecular Properties

Compound Name(4-methoxypyrimidin-5-yl)methanol
PubChem CID86715279
Molecular FormulaC6H8N2O2
Molecular Weight140.14 g/mol
Exact Mass140.06
IUPAC Name(4-methoxypyrimidin-5-yl)methanol
SMILESCOc1ncncc1CO
InChIInChI=1S/C6H8N2O2/c1-10-6-5(3-9)2-7-4-8-6/h2,4,9H,3H2,1H3
InChIKeyBKVNEMOKQLNYOT-UHFFFAOYSA-N
XLogP-0.02
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.14
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-methoxypyrimidin-5-yl)methanol?
The IUPAC name of (4-methoxypyrimidin-5-yl)methanol (CID 86715279) is (4-methoxypyrimidin-5-yl)methanol.
What is the SMILES notation for (4-methoxypyrimidin-5-yl)methanol?
The canonical SMILES for (4-methoxypyrimidin-5-yl)methanol is COc1ncncc1CO.
What is the InChIKey of (4-methoxypyrimidin-5-yl)methanol?
The InChIKey is BKVNEMOKQLNYOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O2/c1-10-6-5(3-9)2-7-4-8-6/h2,4,9H,3H2,1H3.
What are the key properties of (4-methoxypyrimidin-5-yl)methanol?
(4-methoxypyrimidin-5-yl)methanol has a molecular weight of 140.14 g/mol, XLogP of -0.02, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxypyrimidin-5-yl)methanol is sourced from PubChem (CID 86715279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).