(Z)-2-pyrimidin-2-ylethenol

C6H6N2O — CID 162729567

IUPAC(Z)-2-pyrimidin-2-ylethenol
SMILESO/C=C\c1ncccn1
InChIInChI=1S/C6H6N2O/c9-5-2-6-7-3-1-4-8-6/h1-5,9H/b5-2-
InChIKeyDOEFLFNKNSBNGU-DJWKRKHSSA-N
MW122.13 g/mol
LogP1.01
Rot. Bonds1

About (Z)-2-pyrimidin-2-ylethenol

(Z)-2-pyrimidin-2-ylethenol (PubChem CID 162729567) has the molecular formula C6H6N2O and a molecular weight of 122.13 g/mol. Its IUPAC name is (Z)-2-pyrimidin-2-ylethenol.

Molecular Properties

Compound Name(Z)-2-pyrimidin-2-ylethenol
PubChem CID162729567
Molecular FormulaC6H6N2O
Molecular Weight122.13 g/mol
Exact Mass122.05
IUPAC Name(Z)-2-pyrimidin-2-ylethenol
SMILESO/C=C\c1ncccn1
InChIInChI=1S/C6H6N2O/c9-5-2-6-7-3-1-4-8-6/h1-5,9H/b5-2-
InChIKeyDOEFLFNKNSBNGU-DJWKRKHSSA-N
XLogP1.01
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.13
LogP ≤ 51.01
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

(E)-N,N-dimethyl-3-pyrimidin-2-ylprop-2-enamide
CID 166914330
2-(2-nitroethenyl)pyrimidine
CID 131888261
CID 57442291
CID 57442291
2-(2-pyridin-2-ylethenyl)pyridine
CID 161029843
tetrakis(benzene-1,2-diol);bis(2-[(E)-2-pyridin-2-ylethenyl]pyridine)
CID 139185658
3-[(E)-2-hydroxyethenyl]-1H-pyrazin-2-one
CID 136880927
iridium(3+);1,5-naphthyridine
CID 175728214
2-[2-(1,3,5-triazin-2-yl)ethenyl]-1,3,5-triazine
CID 123406658
bis(dihydroxy(oxo)phosphanium);2-pyridin-3-ylethenol
CID 159880051
2-(methyliminomethyl)pyridin-3-ol
CID 136948272
2-phenyl-3-pyrimidin-2-ylprop-2-enamide
CID 138629332
pyrimidin-2-ylmethanol
CID 2763024

Frequently Asked Questions

What is the IUPAC name of (Z)-2-pyrimidin-2-ylethenol?
The IUPAC name of (Z)-2-pyrimidin-2-ylethenol (CID 162729567) is (Z)-2-pyrimidin-2-ylethenol.
What is the SMILES notation for (Z)-2-pyrimidin-2-ylethenol?
The canonical SMILES for (Z)-2-pyrimidin-2-ylethenol is O/C=C\c1ncccn1.
What is the InChIKey of (Z)-2-pyrimidin-2-ylethenol?
The InChIKey is DOEFLFNKNSBNGU-DJWKRKHSSA-N. The full InChI is InChI=1S/C6H6N2O/c9-5-2-6-7-3-1-4-8-6/h1-5,9H/b5-2-.
What are the key properties of (Z)-2-pyrimidin-2-ylethenol?
(Z)-2-pyrimidin-2-ylethenol has a molecular weight of 122.13 g/mol, XLogP of 1.01, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-pyrimidin-2-ylethenol is sourced from PubChem (CID 162729567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).