2,5-dichloro-4-phenoxypyrimidine

C10H6Cl2N2O — CID 12875050

IUPAC2,5-dichloro-4-phenoxypyrimidine
SMILESClc1ncc(Cl)c(Oc2ccccc2)n1
InChIInChI=1S/C10H6Cl2N2O/c11-8-6-13-10(12)14-9(8)15-7-4-2-1-3-5-7/h1-6H
InChIKeyUPTRFEZXEXCWTM-UHFFFAOYSA-N
MW241.08 g/mol
LogP3.58
Rot. Bonds2

About 2,5-dichloro-4-phenoxypyrimidine

2,5-dichloro-4-phenoxypyrimidine (PubChem CID 12875050) has the molecular formula C10H6Cl2N2O and a molecular weight of 241.08 g/mol. Its IUPAC name is 2,5-dichloro-4-phenoxypyrimidine.

Molecular Properties

Compound Name2,5-dichloro-4-phenoxypyrimidine
PubChem CID12875050
Molecular FormulaC10H6Cl2N2O
Molecular Weight241.08 g/mol
Exact Mass239.99
IUPAC Name2,5-dichloro-4-phenoxypyrimidine
SMILESClc1ncc(Cl)c(Oc2ccccc2)n1
InChIInChI=1S/C10H6Cl2N2O/c11-8-6-13-10(12)14-9(8)15-7-4-2-1-3-5-7/h1-6H
InChIKeyUPTRFEZXEXCWTM-UHFFFAOYSA-N
XLogP3.58
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.08
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-Chlorophenoxy)-2-(methylsulfanyl)pyrimidine
CID 901073
Pyrimidine, 4-chloro-6-(4-chlorophenoxy)-
CID 3079025
N,N-diethyl-6-phenoxypyrimidin-4-amine
CID 2055860
4-Methoxy-2-phenoxypyrimidine
CID 824706
2-Chloro-4-fluorophenyl 2-chloro-4-pyrimidinyl ether
CID 1811330
2-Chloro-4-phenoxypyrimidine-5-carbonitrile
CID 145969756
2-(2,4-Difluorophenoxy)pyrimidine
CID 610284
2-Phenoxypyrimidine
CID 5324768
2,4-Diphenoxypyrimidine
CID 3008436
4-Chloro-6-phenoxypyrimidine
CID 11593677
5-Phenoxypyrimidine
CID 76850150
2-(2-Chloro-4-fluorophenoxy)pyrimidine
CID 8852553

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-4-phenoxypyrimidine?
The IUPAC name of 2,5-dichloro-4-phenoxypyrimidine (CID 12875050) is 2,5-dichloro-4-phenoxypyrimidine.
What is the SMILES notation for 2,5-dichloro-4-phenoxypyrimidine?
The canonical SMILES for 2,5-dichloro-4-phenoxypyrimidine is Clc1ncc(Cl)c(Oc2ccccc2)n1.
What is the InChIKey of 2,5-dichloro-4-phenoxypyrimidine?
The InChIKey is UPTRFEZXEXCWTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Cl2N2O/c11-8-6-13-10(12)14-9(8)15-7-4-2-1-3-5-7/h1-6H.
What are the key properties of 2,5-dichloro-4-phenoxypyrimidine?
2,5-dichloro-4-phenoxypyrimidine has a molecular weight of 241.08 g/mol, XLogP of 3.58, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-4-phenoxypyrimidine is sourced from PubChem (CID 12875050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).