(4-pyrimidin-4-ylphenyl) formate

C11H8N2O2 — CID 139536850

IUPAC(4-pyrimidin-4-ylphenyl) formate
SMILESO=COc1ccc(-c2ccncn2)cc1
InChIInChI=1S/C11H8N2O2/c14-8-15-10-3-1-9(2-4-10)11-5-6-12-7-13-11/h1-8H
InChIKeyOJILVXSZGLRNQG-UHFFFAOYSA-N
MW200.20 g/mol
LogP1.68
Rot. Bonds3

About (4-pyrimidin-4-ylphenyl) formate

(4-pyrimidin-4-ylphenyl) formate (PubChem CID 139536850) has the molecular formula C11H8N2O2 and a molecular weight of 200.20 g/mol. Its IUPAC name is (4-pyrimidin-4-ylphenyl) formate.

Molecular Properties

Compound Name(4-pyrimidin-4-ylphenyl) formate
PubChem CID139536850
Molecular FormulaC11H8N2O2
Molecular Weight200.20 g/mol
Exact Mass200.06
IUPAC Name(4-pyrimidin-4-ylphenyl) formate
SMILESO=COc1ccc(-c2ccncn2)cc1
InChIInChI=1S/C11H8N2O2/c14-8-15-10-3-1-9(2-4-10)11-5-6-12-7-13-11/h1-8H
InChIKeyOJILVXSZGLRNQG-UHFFFAOYSA-N
XLogP1.68
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.20
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

ethyl formate;4-[4-(4-fluorophenoxy)phenyl]pyrimidine
CID 174443125
4-[4-(4-bromophenyl)phenyl]pyrimidine
CID 174799643
5-pyrimidin-4-ylpyridin-2-amine
CID 130447007
(4-pyrimidin-4-ylphenyl)methanamine
CID 28815273
pyrrolo[3,2-d][1,3]diazepine
CID 70359339
2-(4-pyrimidin-4-ylphenyl)propanoic acid
CID 142788685
[2-(4-formyloxy-2-pyridinyl)-4-pyridinyl] formate
CID 58130106
N-(cyclopropylmethyl)-4-pyrimidin-4-ylaniline
CID 141092448
(3-methyl-5-pyridin-4-ylphenyl) formate
CID 118375249
4-(2-phenyl-4-pyridinyl)pyrimidine
CID 58421020
4-(1-methylpyrazol-4-yl)pyrimidine
CID 3477787
[4-(4-ethylphenyl)phenyl] formate
CID 1393715

Frequently Asked Questions

What is the IUPAC name of (4-pyrimidin-4-ylphenyl) formate?
The IUPAC name of (4-pyrimidin-4-ylphenyl) formate (CID 139536850) is (4-pyrimidin-4-ylphenyl) formate.
What is the SMILES notation for (4-pyrimidin-4-ylphenyl) formate?
The canonical SMILES for (4-pyrimidin-4-ylphenyl) formate is O=COc1ccc(-c2ccncn2)cc1.
What is the InChIKey of (4-pyrimidin-4-ylphenyl) formate?
The InChIKey is OJILVXSZGLRNQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2O2/c14-8-15-10-3-1-9(2-4-10)11-5-6-12-7-13-11/h1-8H.
What are the key properties of (4-pyrimidin-4-ylphenyl) formate?
(4-pyrimidin-4-ylphenyl) formate has a molecular weight of 200.20 g/mol, XLogP of 1.68, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-pyrimidin-4-ylphenyl) formate is sourced from PubChem (CID 139536850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).