5-(chloromethyl)-4-methyl-2-(4-propoxyphenoxy)pyrimidine

C15H17ClN2O2 — CID 83184425

IUPAC5-(chloromethyl)-4-methyl-2-(4-propoxyphenoxy)pyrimidine
SMILESCCCOc1ccc(Oc2ncc(CCl)c(C)n2)cc1
InChIInChI=1S/C15H17ClN2O2/c1-3-8-19-13-4-6-14(7-5-13)20-15-17-10-12(9-16)11(2)18-15/h4-7,10H,3,8-9H2,1-2H3
InChIKeyGZQTYGCLCBABRX-UHFFFAOYSA-N
MW292.77 g/mol
LogP4.10
Rot. Bonds6

About 5-(chloromethyl)-4-methyl-2-(4-propoxyphenoxy)pyrimidine

5-(chloromethyl)-4-methyl-2-(4-propoxyphenoxy)pyrimidine (PubChem CID 83184425) has the molecular formula C15H17ClN2O2 and a molecular weight of 292.77 g/mol. Its IUPAC name is 5-(chloromethyl)-4-methyl-2-(4-propoxyphenoxy)pyrimidine.

Molecular Properties

Compound Name5-(chloromethyl)-4-methyl-2-(4-propoxyphenoxy)pyrimidine
PubChem CID83184425
Molecular FormulaC15H17ClN2O2
Molecular Weight292.77 g/mol
Exact Mass292.10
IUPAC Name5-(chloromethyl)-4-methyl-2-(4-propoxyphenoxy)pyrimidine
SMILESCCCOc1ccc(Oc2ncc(CCl)c(C)n2)cc1
InChIInChI=1S/C15H17ClN2O2/c1-3-8-19-13-4-6-14(7-5-13)20-15-17-10-12(9-16)11(2)18-15/h4-7,10H,3,8-9H2,1-2H3
InChIKeyGZQTYGCLCBABRX-UHFFFAOYSA-N
XLogP4.10
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 54.10
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-methyl-2-(4-propoxyphenoxy)pyrimidin-5-yl]methanamine
CID 83188697
2-(3-chloro-4-fluorophenoxy)-5-(chloromethyl)-4-methylpyrimidine
CID 83184428
5-(chloromethyl)-4-methyl-2-octoxypyrimidine
CID 83184945
5-(chloromethyl)-2-(1-ethylpyrazol-4-yl)oxy-4-methylpyrimidine
CID 116802687
2-(3-bromophenoxy)-5-(chloromethyl)-4-methylpyrimidine
CID 83184509
5-(chloromethyl)-2-[(4-methoxyphenyl)methoxy]-4-methylpyrimidine
CID 83183815
1-(chloromethyl)-2-(4-propoxyphenoxy)benzene
CID 28971293
5-(chloromethyl)-2-(2,5-dichlorophenoxy)-4-methylpyrimidine
CID 83184065
5-(chloromethyl)-4-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyrimidine
CID 112588533
2-[4-[5-(hydroxymethyl)-4-methylpyrimidin-2-yl]oxyphenyl]ethanol
CID 107709771
2-methyl-N-[[4-methyl-2-(4-methylphenoxy)pyrimidin-5-yl]methyl]propan-2-amine
CID 83186537
4-(chloromethyl)-1,3-dimethyl-5-(4-propoxyphenoxy)pyrazole
CID 28971291

Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-4-methyl-2-(4-propoxyphenoxy)pyrimidine?
The IUPAC name of 5-(chloromethyl)-4-methyl-2-(4-propoxyphenoxy)pyrimidine (CID 83184425) is 5-(chloromethyl)-4-methyl-2-(4-propoxyphenoxy)pyrimidine.
What is the SMILES notation for 5-(chloromethyl)-4-methyl-2-(4-propoxyphenoxy)pyrimidine?
The canonical SMILES for 5-(chloromethyl)-4-methyl-2-(4-propoxyphenoxy)pyrimidine is CCCOc1ccc(Oc2ncc(CCl)c(C)n2)cc1.
What is the InChIKey of 5-(chloromethyl)-4-methyl-2-(4-propoxyphenoxy)pyrimidine?
The InChIKey is GZQTYGCLCBABRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O2/c1-3-8-19-13-4-6-14(7-5-13)20-15-17-10-12(9-16)11(2)18-15/h4-7,10H,3,8-9H2,1-2H3.
What are the key properties of 5-(chloromethyl)-4-methyl-2-(4-propoxyphenoxy)pyrimidine?
5-(chloromethyl)-4-methyl-2-(4-propoxyphenoxy)pyrimidine has a molecular weight of 292.77 g/mol, XLogP of 4.10, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-4-methyl-2-(4-propoxyphenoxy)pyrimidine is sourced from PubChem (CID 83184425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).