pyrimidin-4-ylmethanol

C5H6N2O — CID 12933341

IUPACpyrimidin-4-ylmethanol
SMILESOCc1ccncn1
InChIInChI=1S/C5H6N2O/c8-3-5-1-2-6-4-7-5/h1-2,4,8H,3H2
InChIKeyOEYVFRVNVPKHQQ-UHFFFAOYSA-N
MW110.12 g/mol
LogP-0.03
Rot. Bonds1

About pyrimidin-4-ylmethanol

pyrimidin-4-ylmethanol (PubChem CID 12933341) has the molecular formula C5H6N2O and a molecular weight of 110.12 g/mol. Its IUPAC name is pyrimidin-4-ylmethanol.

Molecular Properties

Compound Namepyrimidin-4-ylmethanol
PubChem CID12933341
Molecular FormulaC5H6N2O
Molecular Weight110.12 g/mol
Exact Mass110.05
IUPAC Namepyrimidin-4-ylmethanol
SMILESOCc1ccncn1
InChIInChI=1S/C5H6N2O/c8-3-5-1-2-6-4-7-5/h1-2,4,8H,3H2
InChIKeyOEYVFRVNVPKHQQ-UHFFFAOYSA-N
XLogP-0.03
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.12
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of pyrimidin-4-ylmethanol?
The IUPAC name of pyrimidin-4-ylmethanol (CID 12933341) is pyrimidin-4-ylmethanol.
What is the SMILES notation for pyrimidin-4-ylmethanol?
The canonical SMILES for pyrimidin-4-ylmethanol is OCc1ccncn1.
What is the InChIKey of pyrimidin-4-ylmethanol?
The InChIKey is OEYVFRVNVPKHQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O/c8-3-5-1-2-6-4-7-5/h1-2,4,8H,3H2.
What are the key properties of pyrimidin-4-ylmethanol?
pyrimidin-4-ylmethanol has a molecular weight of 110.12 g/mol, XLogP of -0.03, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyrimidin-4-ylmethanol is sourced from PubChem (CID 12933341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).