4-chloro-6-ethoxy-2-[2-(3-methylphenoxy)ethyl]pyrimidine

C15H17ClN2O2 — CID 82165679

IUPAC4-chloro-6-ethoxy-2-[2-(3-methylphenoxy)ethyl]pyrimidine
SMILESCCOc1cc(Cl)nc(CCOc2cccc(C)c2)n1
InChIInChI=1S/C15H17ClN2O2/c1-3-19-15-10-13(16)17-14(18-15)7-8-20-12-6-4-5-11(2)9-12/h4-6,9-10H,3,7-8H2,1-2H3
InChIKeyNLPOLCOMDIRZGJ-UHFFFAOYSA-N
MW292.77 g/mol
LogP3.46
Rot. Bonds6

About 4-chloro-6-ethoxy-2-[2-(3-methylphenoxy)ethyl]pyrimidine

4-chloro-6-ethoxy-2-[2-(3-methylphenoxy)ethyl]pyrimidine (PubChem CID 82165679) has the molecular formula C15H17ClN2O2 and a molecular weight of 292.77 g/mol. Its IUPAC name is 4-chloro-6-ethoxy-2-[2-(3-methylphenoxy)ethyl]pyrimidine.

Molecular Properties

Compound Name4-chloro-6-ethoxy-2-[2-(3-methylphenoxy)ethyl]pyrimidine
PubChem CID82165679
Molecular FormulaC15H17ClN2O2
Molecular Weight292.77 g/mol
Exact Mass292.10
IUPAC Name4-chloro-6-ethoxy-2-[2-(3-methylphenoxy)ethyl]pyrimidine
SMILESCCOc1cc(Cl)nc(CCOc2cccc(C)c2)n1
InChIInChI=1S/C15H17ClN2O2/c1-3-19-15-10-13(16)17-14(18-15)7-8-20-12-6-4-5-11(2)9-12/h4-6,9-10H,3,7-8H2,1-2H3
InChIKeyNLPOLCOMDIRZGJ-UHFFFAOYSA-N
XLogP3.46
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 ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-6-ethoxy-2-[(3-methylphenyl)methyl]pyrimidine
CID 82169566
4-chloro-6-methyl-2-[(3-methylphenoxy)methyl]pyrimidine
CID 15561342
1-ethoxy-3-[3-(3-methylphenoxy)propoxy]benzene
CID 2284499
2-[2-(3-methylphenoxy)ethyl]pyrimidine-5-carboxylic acid
CID 82168732
6-chloro-2-[(3-methylphenoxy)methyl]pyrimidine-4-carboxylic acid
CID 82168817
1-methyl-3-[4-(3-methylphenoxy)butoxy]benzene
CID 2237989
ethane;1-ethoxy-3-methylbenzene;methanol
CID 142994688
4-chloro-2-methyl-6-(2-phenoxyethoxy)pyrimidine
CID 62483754
1-methyl-3-[6-(3-methylphenoxy)hexoxy]benzene
CID 2304788
4-chloro-6-ethoxy-2-[(2-methoxyphenoxy)methyl]pyrimidine
CID 82169602
4-[2-(3-methylphenoxy)ethyl]pyridine
CID 64765282
4-chloro-6-pentoxy-2-propylpyrimidine
CID 80939155

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-ethoxy-2-[2-(3-methylphenoxy)ethyl]pyrimidine?
The IUPAC name of 4-chloro-6-ethoxy-2-[2-(3-methylphenoxy)ethyl]pyrimidine (CID 82165679) is 4-chloro-6-ethoxy-2-[2-(3-methylphenoxy)ethyl]pyrimidine.
What is the SMILES notation for 4-chloro-6-ethoxy-2-[2-(3-methylphenoxy)ethyl]pyrimidine?
The canonical SMILES for 4-chloro-6-ethoxy-2-[2-(3-methylphenoxy)ethyl]pyrimidine is CCOc1cc(Cl)nc(CCOc2cccc(C)c2)n1.
What is the InChIKey of 4-chloro-6-ethoxy-2-[2-(3-methylphenoxy)ethyl]pyrimidine?
The InChIKey is NLPOLCOMDIRZGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O2/c1-3-19-15-10-13(16)17-14(18-15)7-8-20-12-6-4-5-11(2)9-12/h4-6,9-10H,3,7-8H2,1-2H3.
What are the key properties of 4-chloro-6-ethoxy-2-[2-(3-methylphenoxy)ethyl]pyrimidine?
4-chloro-6-ethoxy-2-[2-(3-methylphenoxy)ethyl]pyrimidine has a molecular weight of 292.77 g/mol, XLogP of 3.46, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-ethoxy-2-[2-(3-methylphenoxy)ethyl]pyrimidine is sourced from PubChem (CID 82165679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).