2-phenoxypyrimidine

C10H8N2O — CID 5324768

IUPAC2-phenoxypyrimidine
SMILESc1ccc(Oc2ncccn2)cc1
InChIInChI=1S/C10H8N2O/c1-2-5-9(6-3-1)13-10-11-7-4-8-12-10/h1-8H
InChIKeyCEBDRQUBQYQBEV-UHFFFAOYSA-N
MW172.19 g/mol
LogP2.27
Rot. Bonds2

About 2-phenoxypyrimidine

2-phenoxypyrimidine (PubChem CID 5324768) has the molecular formula C10H8N2O and a molecular weight of 172.19 g/mol. Its IUPAC name is 2-phenoxypyrimidine.

Molecular Properties

Compound Name2-phenoxypyrimidine
PubChem CID5324768
Molecular FormulaC10H8N2O
Molecular Weight172.19 g/mol
Exact Mass172.06
IUPAC Name2-phenoxypyrimidine
SMILESc1ccc(Oc2ncccn2)cc1
InChIInChI=1S/C10H8N2O/c1-2-5-9(6-3-1)13-10-11-7-4-8-12-10/h1-8H
InChIKeyCEBDRQUBQYQBEV-UHFFFAOYSA-N
XLogP2.27
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.19
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-phenoxypyrimidine?
The IUPAC name of 2-phenoxypyrimidine (CID 5324768) is 2-phenoxypyrimidine.
What is the SMILES notation for 2-phenoxypyrimidine?
The canonical SMILES for 2-phenoxypyrimidine is c1ccc(Oc2ncccn2)cc1.
What is the InChIKey of 2-phenoxypyrimidine?
The InChIKey is CEBDRQUBQYQBEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O/c1-2-5-9(6-3-1)13-10-11-7-4-8-12-10/h1-8H.
What are the key properties of 2-phenoxypyrimidine?
2-phenoxypyrimidine has a molecular weight of 172.19 g/mol, XLogP of 2.27, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxypyrimidine is sourced from PubChem (CID 5324768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).