ethenol;pyrimidine

C6H8N2O — CID 174498659

IUPACethenol;pyrimidine
SMILESC=CO.c1cncnc1
InChIInChI=1S/C4H4N2.C2H4O/c1-2-5-4-6-3-1;1-2-3/h1-4H;2-3H,1H2
InChIKeyNWUZLFQNBFGJGZ-UHFFFAOYSA-N
MW124.14 g/mol
LogP1.16
Rot. Bonds

About ethenol;pyrimidine

ethenol;pyrimidine (PubChem CID 174498659) has the molecular formula C6H8N2O and a molecular weight of 124.14 g/mol. Its IUPAC name is ethenol;pyrimidine.

Molecular Properties

Compound Nameethenol;pyrimidine
PubChem CID174498659
Molecular FormulaC6H8N2O
Molecular Weight124.14 g/mol
Exact Mass124.06
IUPAC Nameethenol;pyrimidine
SMILESC=CO.c1cncnc1
InChIInChI=1S/C4H4N2.C2H4O/c1-2-5-4-6-3-1;1-2-3/h1-4H;2-3H,1H2
InChIKeyNWUZLFQNBFGJGZ-UHFFFAOYSA-N
XLogP1.16
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.14
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

hypochlorous acid;pyrimidine
CID 161391603
methanethione;bis(pyrimidine)
CID 174411529
iron;pyrimidine
CID 160776334
copper;pyrimidine
CID 140826173
pyrimidine;bis(tungsten(2+))
CID 175709201
pyrimidine;dihydrate;hydrochloride
CID 142797131
pyrimidine;pentahydrate;trihydrochloride
CID 139950322
manganese;pyrimidine;sulfane
CID 174633913
ethenol chloride
CID 19833463
CID 174457230
CID 174457230
iminonickel;pyrimidine
CID 175480865
pyrimidine;urea;hydrochloride
CID 158909847

Frequently Asked Questions

What is the IUPAC name of ethenol;pyrimidine?
The IUPAC name of ethenol;pyrimidine (CID 174498659) is ethenol;pyrimidine.
What is the SMILES notation for ethenol;pyrimidine?
The canonical SMILES for ethenol;pyrimidine is C=CO.c1cncnc1.
What is the InChIKey of ethenol;pyrimidine?
The InChIKey is NWUZLFQNBFGJGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4N2.C2H4O/c1-2-5-4-6-3-1;1-2-3/h1-4H;2-3H,1H2.
What are the key properties of ethenol;pyrimidine?
ethenol;pyrimidine has a molecular weight of 124.14 g/mol, XLogP of 1.16, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethenol;pyrimidine is sourced from PubChem (CID 174498659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).