5-(chloromethyl)-4-(3-methoxyphenoxy)-2-methylpyrimidine

C13H13ClN2O2 — CID 114215617

IUPAC5-(chloromethyl)-4-(3-methoxyphenoxy)-2-methylpyrimidine
SMILESCOc1cccc(Oc2nc(C)ncc2CCl)c1
InChIInChI=1S/C13H13ClN2O2/c1-9-15-8-10(7-14)13(16-9)18-12-5-3-4-11(6-12)17-2/h3-6,8H,7H2,1-2H3
InChIKeyARGFAYINWDGYNC-UHFFFAOYSA-N
MW264.71 g/mol
LogP3.32
Rot. Bonds4

About 5-(chloromethyl)-4-(3-methoxyphenoxy)-2-methylpyrimidine

5-(chloromethyl)-4-(3-methoxyphenoxy)-2-methylpyrimidine (PubChem CID 114215617) has the molecular formula C13H13ClN2O2 and a molecular weight of 264.71 g/mol. Its IUPAC name is 5-(chloromethyl)-4-(3-methoxyphenoxy)-2-methylpyrimidine.

Molecular Properties

Compound Name5-(chloromethyl)-4-(3-methoxyphenoxy)-2-methylpyrimidine
PubChem CID114215617
Molecular FormulaC13H13ClN2O2
Molecular Weight264.71 g/mol
Exact Mass264.07
IUPAC Name5-(chloromethyl)-4-(3-methoxyphenoxy)-2-methylpyrimidine
SMILESCOc1cccc(Oc2nc(C)ncc2CCl)c1
InChIInChI=1S/C13H13ClN2O2/c1-9-15-8-10(7-14)13(16-9)18-12-5-3-4-11(6-12)17-2/h3-6,8H,7H2,1-2H3
InChIKeyARGFAYINWDGYNC-UHFFFAOYSA-N
XLogP3.32
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.71
LogP ≤ 53.32
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

5-bromo-3-(chloromethyl)-2-(3-ethoxyphenoxy)pyridine
CID 55060803
1-(chloromethyl)-3-(3-methoxyphenoxy)benzene
CID 19421777
1-(chloromethoxy)-3-methoxybenzene
CID 59086252
2-(3-methoxyphenoxy)-3-methylquinoxaline
CID 39999926
4-chloro-2-ethyl-6-(3-methoxyphenoxy)-5-methylpyrimidine
CID 80974213
N-[[2-(3-methoxyphenoxy)-4-methylpyrimidin-5-yl]methyl]ethanamine
CID 83189135
N-[[5-bromo-2-(3-methoxyphenoxy)-3-pyridinyl]methyl]propan-2-amine
CID 62298160
5-chloro-2-(3-methoxyphenoxy)pyrimidine
CID 71402141
2-(3-bromophenoxy)-5-(chloromethyl)-4-methylpyrimidine
CID 83184509
[5-chloro-4-(3-methoxyphenoxy)pyrimidin-2-yl]hydrazine
CID 80914939
5-(bromomethyl)-2-(3-methoxyphenoxy)pyrimidine
CID 107086798
calcium;1,3-dimethoxybenzene;hydride
CID 174808068

Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-4-(3-methoxyphenoxy)-2-methylpyrimidine?
The IUPAC name of 5-(chloromethyl)-4-(3-methoxyphenoxy)-2-methylpyrimidine (CID 114215617) is 5-(chloromethyl)-4-(3-methoxyphenoxy)-2-methylpyrimidine.
What is the SMILES notation for 5-(chloromethyl)-4-(3-methoxyphenoxy)-2-methylpyrimidine?
The canonical SMILES for 5-(chloromethyl)-4-(3-methoxyphenoxy)-2-methylpyrimidine is COc1cccc(Oc2nc(C)ncc2CCl)c1.
What is the InChIKey of 5-(chloromethyl)-4-(3-methoxyphenoxy)-2-methylpyrimidine?
The InChIKey is ARGFAYINWDGYNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O2/c1-9-15-8-10(7-14)13(16-9)18-12-5-3-4-11(6-12)17-2/h3-6,8H,7H2,1-2H3.
What are the key properties of 5-(chloromethyl)-4-(3-methoxyphenoxy)-2-methylpyrimidine?
5-(chloromethyl)-4-(3-methoxyphenoxy)-2-methylpyrimidine has a molecular weight of 264.71 g/mol, XLogP of 3.32, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-4-(3-methoxyphenoxy)-2-methylpyrimidine is sourced from PubChem (CID 114215617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).