4-[4-(2-chloro-5-methoxyphenoxy)-6-methylpyrimidin-2-yl]morpholine

C16H18ClN3O3 — CID 140971401

IUPAC4-[4-(2-chloro-5-methoxyphenoxy)-6-methylpyrimidin-2-yl]morpholine
SMILESCOc1ccc(Cl)c(Oc2cc(C)nc(N3CCOCC3)n2)c1
InChIInChI=1S/C16H18ClN3O3/c1-11-9-15(19-16(18-11)20-5-7-22-8-6-20)23-14-10-12(21-2)3-4-13(14)17/h3-4,9-10H,5-8H2,1-2H3
InChIKeyJDXNGMWLSPEATR-UHFFFAOYSA-N
MW335.79 g/mol
LogP3.08
Rot. Bonds4

About 4-[4-(2-chloro-5-methoxyphenoxy)-6-methylpyrimidin-2-yl]morpholine

4-[4-(2-chloro-5-methoxyphenoxy)-6-methylpyrimidin-2-yl]morpholine (PubChem CID 140971401) has the molecular formula C16H18ClN3O3 and a molecular weight of 335.79 g/mol. Its IUPAC name is 4-[4-(2-chloro-5-methoxyphenoxy)-6-methylpyrimidin-2-yl]morpholine.

Molecular Properties

Compound Name4-[4-(2-chloro-5-methoxyphenoxy)-6-methylpyrimidin-2-yl]morpholine
PubChem CID140971401
Molecular FormulaC16H18ClN3O3
Molecular Weight335.79 g/mol
Exact Mass335.10
IUPAC Name4-[4-(2-chloro-5-methoxyphenoxy)-6-methylpyrimidin-2-yl]morpholine
SMILESCOc1ccc(Cl)c(Oc2cc(C)nc(N3CCOCC3)n2)c1
InChIInChI=1S/C16H18ClN3O3/c1-11-9-15(19-16(18-11)20-5-7-22-8-6-20)23-14-10-12(21-2)3-4-13(14)17/h3-4,9-10H,5-8H2,1-2H3
InChIKeyJDXNGMWLSPEATR-UHFFFAOYSA-N
XLogP3.08
TPSA56.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.79
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-chloro-5-methoxyphenoxy)-6-methylpyrimidin-2-yl]morpholine?
The IUPAC name of 4-[4-(2-chloro-5-methoxyphenoxy)-6-methylpyrimidin-2-yl]morpholine (CID 140971401) is 4-[4-(2-chloro-5-methoxyphenoxy)-6-methylpyrimidin-2-yl]morpholine.
What is the SMILES notation for 4-[4-(2-chloro-5-methoxyphenoxy)-6-methylpyrimidin-2-yl]morpholine?
The canonical SMILES for 4-[4-(2-chloro-5-methoxyphenoxy)-6-methylpyrimidin-2-yl]morpholine is COc1ccc(Cl)c(Oc2cc(C)nc(N3CCOCC3)n2)c1.
What is the InChIKey of 4-[4-(2-chloro-5-methoxyphenoxy)-6-methylpyrimidin-2-yl]morpholine?
The InChIKey is JDXNGMWLSPEATR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O3/c1-11-9-15(19-16(18-11)20-5-7-22-8-6-20)23-14-10-12(21-2)3-4-13(14)17/h3-4,9-10H,5-8H2,1-2H3.
What are the key properties of 4-[4-(2-chloro-5-methoxyphenoxy)-6-methylpyrimidin-2-yl]morpholine?
4-[4-(2-chloro-5-methoxyphenoxy)-6-methylpyrimidin-2-yl]morpholine has a molecular weight of 335.79 g/mol, XLogP of 3.08, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-chloro-5-methoxyphenoxy)-6-methylpyrimidin-2-yl]morpholine is sourced from PubChem (CID 140971401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).