4-[5-[[3-(2-methoxyphenyl)-2-pyridinyl]oxy]pyrimidin-2-yl]morpholine

C20H20N4O3 — CID 135246902

IUPAC4-[5-[[3-(2-methoxyphenyl)-2-pyridinyl]oxy]pyrimidin-2-yl]morpholine
SMILESCOc1ccccc1-c1cccnc1Oc1cnc(N2CCOCC2)nc1
InChIInChI=1S/C20H20N4O3/c1-25-18-7-3-2-5-16(18)17-6-4-8-21-19(17)27-15-13-22-20(23-14-15)24-9-11-26-12-10-24/h2-8,13-14H,9-12H2,1H3
InChIKeyRNXXKBBIHLRBAD-UHFFFAOYSA-N
MW364.41 g/mol
LogP3.18
Rot. Bonds5

About 4-[5-[[3-(2-methoxyphenyl)-2-pyridinyl]oxy]pyrimidin-2-yl]morpholine

4-[5-[[3-(2-methoxyphenyl)-2-pyridinyl]oxy]pyrimidin-2-yl]morpholine (PubChem CID 135246902) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is 4-[5-[[3-(2-methoxyphenyl)-2-pyridinyl]oxy]pyrimidin-2-yl]morpholine.

Molecular Properties

Compound Name4-[5-[[3-(2-methoxyphenyl)-2-pyridinyl]oxy]pyrimidin-2-yl]morpholine
PubChem CID135246902
Molecular FormulaC20H20N4O3
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC Name4-[5-[[3-(2-methoxyphenyl)-2-pyridinyl]oxy]pyrimidin-2-yl]morpholine
SMILESCOc1ccccc1-c1cccnc1Oc1cnc(N2CCOCC2)nc1
InChIInChI=1S/C20H20N4O3/c1-25-18-7-3-2-5-16(18)17-6-4-8-21-19(17)27-15-13-22-20(23-14-15)24-9-11-26-12-10-24/h2-8,13-14H,9-12H2,1H3
InChIKeyRNXXKBBIHLRBAD-UHFFFAOYSA-N
XLogP3.18
TPSA69.60 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[[3-(2-methoxyphenyl)-2-pyridinyl]oxy]pyrimidin-2-yl]morpholine?
The IUPAC name of 4-[5-[[3-(2-methoxyphenyl)-2-pyridinyl]oxy]pyrimidin-2-yl]morpholine (CID 135246902) is 4-[5-[[3-(2-methoxyphenyl)-2-pyridinyl]oxy]pyrimidin-2-yl]morpholine.
What is the SMILES notation for 4-[5-[[3-(2-methoxyphenyl)-2-pyridinyl]oxy]pyrimidin-2-yl]morpholine?
The canonical SMILES for 4-[5-[[3-(2-methoxyphenyl)-2-pyridinyl]oxy]pyrimidin-2-yl]morpholine is COc1ccccc1-c1cccnc1Oc1cnc(N2CCOCC2)nc1.
What is the InChIKey of 4-[5-[[3-(2-methoxyphenyl)-2-pyridinyl]oxy]pyrimidin-2-yl]morpholine?
The InChIKey is RNXXKBBIHLRBAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3/c1-25-18-7-3-2-5-16(18)17-6-4-8-21-19(17)27-15-13-22-20(23-14-15)24-9-11-26-12-10-24/h2-8,13-14H,9-12H2,1H3.
What are the key properties of 4-[5-[[3-(2-methoxyphenyl)-2-pyridinyl]oxy]pyrimidin-2-yl]morpholine?
4-[5-[[3-(2-methoxyphenyl)-2-pyridinyl]oxy]pyrimidin-2-yl]morpholine has a molecular weight of 364.41 g/mol, XLogP of 3.18, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[[3-(2-methoxyphenyl)-2-pyridinyl]oxy]pyrimidin-2-yl]morpholine is sourced from PubChem (CID 135246902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).