4-(chloromethyl)-5-(2-ethoxyphenoxy)-2-propan-2-ylpyrimidine

C16H19ClN2O2 — CID 62088524

IUPAC4-(chloromethyl)-5-(2-ethoxyphenoxy)-2-propan-2-ylpyrimidine
SMILESCCOc1ccccc1Oc1cnc(C(C)C)nc1CCl
InChIInChI=1S/C16H19ClN2O2/c1-4-20-13-7-5-6-8-14(13)21-15-10-18-16(11(2)3)19-12(15)9-17/h5-8,10-11H,4,9H2,1-3H3
InChIKeyHEWJPHMXZJLMJZ-UHFFFAOYSA-N
MW306.79 g/mol
LogP4.53
Rot. Bonds6

About 4-(chloromethyl)-5-(2-ethoxyphenoxy)-2-propan-2-ylpyrimidine

4-(chloromethyl)-5-(2-ethoxyphenoxy)-2-propan-2-ylpyrimidine (PubChem CID 62088524) has the molecular formula C16H19ClN2O2 and a molecular weight of 306.79 g/mol. Its IUPAC name is 4-(chloromethyl)-5-(2-ethoxyphenoxy)-2-propan-2-ylpyrimidine.

Molecular Properties

Compound Name4-(chloromethyl)-5-(2-ethoxyphenoxy)-2-propan-2-ylpyrimidine
PubChem CID62088524
Molecular FormulaC16H19ClN2O2
Molecular Weight306.79 g/mol
Exact Mass306.11
IUPAC Name4-(chloromethyl)-5-(2-ethoxyphenoxy)-2-propan-2-ylpyrimidine
SMILESCCOc1ccccc1Oc1cnc(C(C)C)nc1CCl
InChIInChI=1S/C16H19ClN2O2/c1-4-20-13-7-5-6-8-14(13)21-15-10-18-16(11(2)3)19-12(15)9-17/h5-8,10-11H,4,9H2,1-3H3
InChIKeyHEWJPHMXZJLMJZ-UHFFFAOYSA-N
XLogP4.53
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.79
LogP ≤ 54.53
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-(chloromethyl)-5-(3,5-dichlorophenoxy)-2-propan-2-ylpyrimidine
CID 62088348
[2-propan-2-yl-5-(2-propan-2-ylphenoxy)pyrimidin-4-yl]methanamine
CID 62322377
4-(chloromethyl)-2-propan-2-yl-5-propoxypyrimidine
CID 62087446
4-(chloromethyl)-5-[3-(methoxymethyl)phenoxy]-2-propan-2-ylpyrimidine
CID 63986857
[5-(2-methylsulfanylphenoxy)-2-propan-2-ylpyrimidin-4-yl]methanol
CID 63648556
N-methyl-1-[5-(2-methylphenoxy)-2-propan-2-ylpyrimidin-4-yl]methanamine
CID 62297509
2,4-dichloro-6-(2-ethoxyphenoxy)-1,3,5-triazine
CID 62858074
[5-(3-chlorophenoxy)-2-propan-2-ylpyrimidin-4-yl]methanol
CID 62086715
[5-(2-chloro-4-fluorophenoxy)-2-propan-2-ylpyrimidin-4-yl]methanamine
CID 62295801
[5-(3,5-dichlorophenoxy)-2-propan-2-ylpyrimidin-4-yl]methanol
CID 62087969
[5-(4-chlorophenoxy)-2-propan-2-ylpyrimidin-4-yl]methanol
CID 62089045
4-(chloromethyl)-N-ethyl-N-(2-fluorophenyl)-2-propan-2-ylpyrimidin-5-amine
CID 63446305

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-5-(2-ethoxyphenoxy)-2-propan-2-ylpyrimidine?
The IUPAC name of 4-(chloromethyl)-5-(2-ethoxyphenoxy)-2-propan-2-ylpyrimidine (CID 62088524) is 4-(chloromethyl)-5-(2-ethoxyphenoxy)-2-propan-2-ylpyrimidine.
What is the SMILES notation for 4-(chloromethyl)-5-(2-ethoxyphenoxy)-2-propan-2-ylpyrimidine?
The canonical SMILES for 4-(chloromethyl)-5-(2-ethoxyphenoxy)-2-propan-2-ylpyrimidine is CCOc1ccccc1Oc1cnc(C(C)C)nc1CCl.
What is the InChIKey of 4-(chloromethyl)-5-(2-ethoxyphenoxy)-2-propan-2-ylpyrimidine?
The InChIKey is HEWJPHMXZJLMJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O2/c1-4-20-13-7-5-6-8-14(13)21-15-10-18-16(11(2)3)19-12(15)9-17/h5-8,10-11H,4,9H2,1-3H3.
What are the key properties of 4-(chloromethyl)-5-(2-ethoxyphenoxy)-2-propan-2-ylpyrimidine?
4-(chloromethyl)-5-(2-ethoxyphenoxy)-2-propan-2-ylpyrimidine has a molecular weight of 306.79 g/mol, XLogP of 4.53, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-5-(2-ethoxyphenoxy)-2-propan-2-ylpyrimidine is sourced from PubChem (CID 62088524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).