pyrimidin-2-yl benzoate

C11H8N2O2 — CID 19992802

IUPACpyrimidin-2-yl benzoate
SMILESO=C(Oc1ncccn1)c1ccccc1
InChIInChI=1S/C11H8N2O2/c14-10(9-5-2-1-3-6-9)15-11-12-7-4-8-13-11/h1-8H
InChIKeyKWMWSMACCCIVRO-UHFFFAOYSA-N
MW200.20 g/mol
LogP1.70
Rot. Bonds2

About pyrimidin-2-yl benzoate

pyrimidin-2-yl benzoate (PubChem CID 19992802) has the molecular formula C11H8N2O2 and a molecular weight of 200.20 g/mol. Its IUPAC name is pyrimidin-2-yl benzoate.

Molecular Properties

Compound Namepyrimidin-2-yl benzoate
PubChem CID19992802
Molecular FormulaC11H8N2O2
Molecular Weight200.20 g/mol
Exact Mass200.06
IUPAC Namepyrimidin-2-yl benzoate
SMILESO=C(Oc1ncccn1)c1ccccc1
InChIInChI=1S/C11H8N2O2/c14-10(9-5-2-1-3-6-9)15-11-12-7-4-8-13-11/h1-8H
InChIKeyKWMWSMACCCIVRO-UHFFFAOYSA-N
XLogP1.70
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.20
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(2-Pyrimidinyloxy)phenyl]-1-ethanone
CID 2764392
3-(Pyrimidin-2-yloxy)benzaldehyde
CID 2763336
4-(Pyrimidin-2-yloxy)benzaldehyde
CID 2763562
[2-Oxo-2-(pyrimidin-2-ylamino)ethyl] 2,4-difluorobenzoate
CID 2418131
4-(Pyrimidin-2-yl)benzoic acid
CID 1514324
3-(Pyrimidin-2-yl)benzoic acid
CID 22317373
3-[(2-Pyrimidinylthio)methyl]benzoic acid
CID 893783
(E)-3-(dimethylamino)-1-[4-(2-pyrimidinyloxy)phenyl]-2-propen-1-one
CID 1484634
(E)-3-(dimethylamino)-1-[3-(2-pyrimidinyloxy)phenyl]-2-propen-1-one
CID 1487580
[2-Oxo-2-(pyrimidin-2-ylamino)ethyl] 3,5-dimethylbenzoate
CID 2560830
Phenyl-(4-pyrimidin-2-yloxyphenyl)methanone
CID 2539963
Methyl 4-[(pyrimidin-2-ylthio)methyl]benzoate
CID 715507

Frequently Asked Questions

What is the IUPAC name of pyrimidin-2-yl benzoate?
The IUPAC name of pyrimidin-2-yl benzoate (CID 19992802) is pyrimidin-2-yl benzoate.
What is the SMILES notation for pyrimidin-2-yl benzoate?
The canonical SMILES for pyrimidin-2-yl benzoate is O=C(Oc1ncccn1)c1ccccc1.
What is the InChIKey of pyrimidin-2-yl benzoate?
The InChIKey is KWMWSMACCCIVRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2O2/c14-10(9-5-2-1-3-6-9)15-11-12-7-4-8-13-11/h1-8H.
What are the key properties of pyrimidin-2-yl benzoate?
pyrimidin-2-yl benzoate has a molecular weight of 200.20 g/mol, XLogP of 1.70, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pyrimidin-2-yl benzoate is sourced from PubChem (CID 19992802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).