2-pyrimidin-2-ylethyl formate

C7H8N2O2 — CID 173035298

IUPAC2-pyrimidin-2-ylethyl formate
SMILESO=COCCc1ncccn1
InChIInChI=1S/C7H8N2O2/c10-6-11-5-2-7-8-3-1-4-9-7/h1,3-4,6H,2,5H2
InChIKeyFOGUNXBEMJHTDO-UHFFFAOYSA-N
MW152.15 g/mol
LogP0.19
Rot. Bonds4

About 2-pyrimidin-2-ylethyl formate

2-pyrimidin-2-ylethyl formate (PubChem CID 173035298) has the molecular formula C7H8N2O2 and a molecular weight of 152.15 g/mol. Its IUPAC name is 2-pyrimidin-2-ylethyl formate.

Molecular Properties

Compound Name2-pyrimidin-2-ylethyl formate
PubChem CID173035298
Molecular FormulaC7H8N2O2
Molecular Weight152.15 g/mol
Exact Mass152.06
IUPAC Name2-pyrimidin-2-ylethyl formate
SMILESO=COCCc1ncccn1
InChIInChI=1S/C7H8N2O2/c10-6-11-5-2-7-8-3-1-4-9-7/h1,3-4,6H,2,5H2
InChIKeyFOGUNXBEMJHTDO-UHFFFAOYSA-N
XLogP0.19
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.15
LogP ≤ 50.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-pyrimidin-2-ylethyl formate?
The IUPAC name of 2-pyrimidin-2-ylethyl formate (CID 173035298) is 2-pyrimidin-2-ylethyl formate.
What is the SMILES notation for 2-pyrimidin-2-ylethyl formate?
The canonical SMILES for 2-pyrimidin-2-ylethyl formate is O=COCCc1ncccn1.
What is the InChIKey of 2-pyrimidin-2-ylethyl formate?
The InChIKey is FOGUNXBEMJHTDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O2/c10-6-11-5-2-7-8-3-1-4-9-7/h1,3-4,6H,2,5H2.
What are the key properties of 2-pyrimidin-2-ylethyl formate?
2-pyrimidin-2-ylethyl formate has a molecular weight of 152.15 g/mol, XLogP of 0.19, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrimidin-2-ylethyl formate is sourced from PubChem (CID 173035298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).