4-chloro-6-(2-chloro-5-methylphenoxy)pyrimidine

C11H8Cl2N2O — CID 60706705

IUPAC4-chloro-6-(2-chloro-5-methylphenoxy)pyrimidine
SMILESCc1ccc(Cl)c(Oc2cc(Cl)ncn2)c1
InChIInChI=1S/C11H8Cl2N2O/c1-7-2-3-8(12)9(4-7)16-11-5-10(13)14-6-15-11/h2-6H,1H3
InChIKeyAIDYWUBTXOJZJE-UHFFFAOYSA-N
MW255.10 g/mol
LogP3.88
Rot. Bonds2

About 4-chloro-6-(2-chloro-5-methylphenoxy)pyrimidine

4-chloro-6-(2-chloro-5-methylphenoxy)pyrimidine (PubChem CID 60706705) has the molecular formula C11H8Cl2N2O and a molecular weight of 255.10 g/mol. Its IUPAC name is 4-chloro-6-(2-chloro-5-methylphenoxy)pyrimidine.

Molecular Properties

Compound Name4-chloro-6-(2-chloro-5-methylphenoxy)pyrimidine
PubChem CID60706705
Molecular FormulaC11H8Cl2N2O
Molecular Weight255.10 g/mol
Exact Mass254.00
IUPAC Name4-chloro-6-(2-chloro-5-methylphenoxy)pyrimidine
SMILESCc1ccc(Cl)c(Oc2cc(Cl)ncn2)c1
InChIInChI=1S/C11H8Cl2N2O/c1-7-2-3-8(12)9(4-7)16-11-5-10(13)14-6-15-11/h2-6H,1H3
InChIKeyAIDYWUBTXOJZJE-UHFFFAOYSA-N
XLogP3.88
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.10
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-6-(2,5-dimethylphenoxy)pyrimidine
CID 60706529
4-chloro-6-(2,4-dimethylphenoxy)pyrimidine
CID 60726049
[4-[6-(2-chloro-5-methylphenoxy)pyrimidin-4-yl]piperazin-1-yl]-(3,4-dichlorophenyl)methanone
CID 46167746
5-bromo-2-(2-chloro-5-methylphenoxy)-4-methylpyridine
CID 114870687
N-butyl-6-(2-chloro-5-methylphenoxy)-N-ethylpyrimidin-4-amine
CID 83286875
4-chloro-6-(2-chloro-5-methylphenoxy)-2-ethylpyrimidine
CID 80942843
4-chloro-6-(3,5-dimethylphenoxy)pyrimidine
CID 22425300
4-chloro-6-(2-chloro-5-methylphenoxy)pyrimidin-5-amine
CID 60726041
1-[(2R)-4-[6-(2-chloro-5-methylphenoxy)pyrimidin-4-yl]-2-methylpiperazin-1-yl]hexan-1-one
CID 93296777
4-chloro-6-(2-chloro-5-methylphenoxy)-5-nitropyrimidine
CID 62101505
2-(chloromethyl)-6-(2-chloro-5-methylphenoxy)pyridine
CID 62239031
4-(2-chloro-5-methylphenoxy)-6-(4-piperidin-1-ylpiperidin-1-yl)pyrimidine
CID 83286971

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(2-chloro-5-methylphenoxy)pyrimidine?
The IUPAC name of 4-chloro-6-(2-chloro-5-methylphenoxy)pyrimidine (CID 60706705) is 4-chloro-6-(2-chloro-5-methylphenoxy)pyrimidine.
What is the SMILES notation for 4-chloro-6-(2-chloro-5-methylphenoxy)pyrimidine?
The canonical SMILES for 4-chloro-6-(2-chloro-5-methylphenoxy)pyrimidine is Cc1ccc(Cl)c(Oc2cc(Cl)ncn2)c1.
What is the InChIKey of 4-chloro-6-(2-chloro-5-methylphenoxy)pyrimidine?
The InChIKey is AIDYWUBTXOJZJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2N2O/c1-7-2-3-8(12)9(4-7)16-11-5-10(13)14-6-15-11/h2-6H,1H3.
What are the key properties of 4-chloro-6-(2-chloro-5-methylphenoxy)pyrimidine?
4-chloro-6-(2-chloro-5-methylphenoxy)pyrimidine has a molecular weight of 255.10 g/mol, XLogP of 3.88, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(2-chloro-5-methylphenoxy)pyrimidine is sourced from PubChem (CID 60706705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).