4-chloro-5-(chloromethyl)-6-[4-(2-methoxyethyl)phenoxy]pyrimidine

C14H14Cl2N2O2 — CID 107087636

IUPAC4-chloro-5-(chloromethyl)-6-[4-(2-methoxyethyl)phenoxy]pyrimidine
SMILESCOCCc1ccc(Oc2ncnc(Cl)c2CCl)cc1
InChIInChI=1S/C14H14Cl2N2O2/c1-19-7-6-10-2-4-11(5-3-10)20-14-12(8-15)13(16)17-9-18-14/h2-5,9H,6-8H2,1H3
InChIKeyPXFPNZBHMXUCPL-UHFFFAOYSA-N
MW313.18 g/mol
LogP3.85
Rot. Bonds6

About 4-chloro-5-(chloromethyl)-6-[4-(2-methoxyethyl)phenoxy]pyrimidine

4-chloro-5-(chloromethyl)-6-[4-(2-methoxyethyl)phenoxy]pyrimidine (PubChem CID 107087636) has the molecular formula C14H14Cl2N2O2 and a molecular weight of 313.18 g/mol. Its IUPAC name is 4-chloro-5-(chloromethyl)-6-[4-(2-methoxyethyl)phenoxy]pyrimidine.

Molecular Properties

Compound Name4-chloro-5-(chloromethyl)-6-[4-(2-methoxyethyl)phenoxy]pyrimidine
PubChem CID107087636
Molecular FormulaC14H14Cl2N2O2
Molecular Weight313.18 g/mol
Exact Mass312.04
IUPAC Name4-chloro-5-(chloromethyl)-6-[4-(2-methoxyethyl)phenoxy]pyrimidine
SMILESCOCCc1ccc(Oc2ncnc(Cl)c2CCl)cc1
InChIInChI=1S/C14H14Cl2N2O2/c1-19-7-6-10-2-4-11(5-3-10)20-14-12(8-15)13(16)17-9-18-14/h2-5,9H,6-8H2,1H3
InChIKeyPXFPNZBHMXUCPL-UHFFFAOYSA-N
XLogP3.85
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.18
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-5-ethyl-6-(4-propylphenoxy)pyrimidine
CID 55228714
4-chloro-5-(chloromethyl)-6-(3,4-dichlorophenoxy)pyrimidine
CID 107087892
4-chloro-5-ethyl-6-(4-methoxyphenoxy)pyrimidine
CID 55228710
4-[4-(2-methoxyethyl)phenoxy]pyrimidin-5-amine
CID 79918869
4-chloro-5-(chloromethyl)-6-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pyrimidine
CID 107088182
4-(2-bromo-4-methoxyphenoxy)-6-chloro-5-(chloromethyl)pyrimidine
CID 107089155
4-(chloromethyl)-3-fluoro-2-[4-(2-methoxyethyl)phenoxy]pyridine
CID 105383838
4-chloro-5-(chloromethyl)-6-pyridin-3-yloxypyrimidine
CID 107087552
4-chloro-6-(4-fluorophenoxy)-5-propylpyrimidine
CID 63734172
4-(3-tert-butylphenoxy)-6-chloro-5-(chloromethyl)pyrimidine
CID 107087589
3-[6-chloro-5-(chloromethyl)pyrimidin-4-yl]oxy-5-methoxybenzonitrile
CID 107089459
4-(4-butylphenoxy)-6-chloro-5-propan-2-ylpyrimidine
CID 115492542

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-(chloromethyl)-6-[4-(2-methoxyethyl)phenoxy]pyrimidine?
The IUPAC name of 4-chloro-5-(chloromethyl)-6-[4-(2-methoxyethyl)phenoxy]pyrimidine (CID 107087636) is 4-chloro-5-(chloromethyl)-6-[4-(2-methoxyethyl)phenoxy]pyrimidine.
What is the SMILES notation for 4-chloro-5-(chloromethyl)-6-[4-(2-methoxyethyl)phenoxy]pyrimidine?
The canonical SMILES for 4-chloro-5-(chloromethyl)-6-[4-(2-methoxyethyl)phenoxy]pyrimidine is COCCc1ccc(Oc2ncnc(Cl)c2CCl)cc1.
What is the InChIKey of 4-chloro-5-(chloromethyl)-6-[4-(2-methoxyethyl)phenoxy]pyrimidine?
The InChIKey is PXFPNZBHMXUCPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N2O2/c1-19-7-6-10-2-4-11(5-3-10)20-14-12(8-15)13(16)17-9-18-14/h2-5,9H,6-8H2,1H3.
What are the key properties of 4-chloro-5-(chloromethyl)-6-[4-(2-methoxyethyl)phenoxy]pyrimidine?
4-chloro-5-(chloromethyl)-6-[4-(2-methoxyethyl)phenoxy]pyrimidine has a molecular weight of 313.18 g/mol, XLogP of 3.85, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-(chloromethyl)-6-[4-(2-methoxyethyl)phenoxy]pyrimidine is sourced from PubChem (CID 107087636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).