4-[4-methyl-6-(4-phenylphenoxy)pyrimidin-2-yl]morpholine

C21H21N3O2 — CID 659795

IUPAC4-[4-methyl-6-(4-phenylphenoxy)pyrimidin-2-yl]morpholine
SMILESCc1cc(Oc2ccc(-c3ccccc3)cc2)nc(N2CCOCC2)n1
InChIInChI=1S/C21H21N3O2/c1-16-15-20(23-21(22-16)24-11-13-25-14-12-24)26-19-9-7-18(8-10-19)17-5-3-2-4-6-17/h2-10,15H,11-14H2,1H3
InChIKeyUOVRXRKDTWDYDK-UHFFFAOYSA-N
MW347.42 g/mol
LogP4.08
Rot. Bonds4

About 4-[4-methyl-6-(4-phenylphenoxy)pyrimidin-2-yl]morpholine

4-[4-methyl-6-(4-phenylphenoxy)pyrimidin-2-yl]morpholine (PubChem CID 659795) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is 4-[4-methyl-6-(4-phenylphenoxy)pyrimidin-2-yl]morpholine.

Molecular Properties

Compound Name4-[4-methyl-6-(4-phenylphenoxy)pyrimidin-2-yl]morpholine
PubChem CID659795
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC Name4-[4-methyl-6-(4-phenylphenoxy)pyrimidin-2-yl]morpholine
SMILESCc1cc(Oc2ccc(-c3ccccc3)cc2)nc(N2CCOCC2)n1
InChIInChI=1S/C21H21N3O2/c1-16-15-20(23-21(22-16)24-11-13-25-14-12-24)26-19-9-7-18(8-10-19)17-5-3-2-4-6-17/h2-10,15H,11-14H2,1H3
InChIKeyUOVRXRKDTWDYDK-UHFFFAOYSA-N
XLogP4.08
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-methyl-6-(4-phenylphenoxy)pyrimidin-2-yl]morpholine?
The IUPAC name of 4-[4-methyl-6-(4-phenylphenoxy)pyrimidin-2-yl]morpholine (CID 659795) is 4-[4-methyl-6-(4-phenylphenoxy)pyrimidin-2-yl]morpholine.
What is the SMILES notation for 4-[4-methyl-6-(4-phenylphenoxy)pyrimidin-2-yl]morpholine?
The canonical SMILES for 4-[4-methyl-6-(4-phenylphenoxy)pyrimidin-2-yl]morpholine is Cc1cc(Oc2ccc(-c3ccccc3)cc2)nc(N2CCOCC2)n1.
What is the InChIKey of 4-[4-methyl-6-(4-phenylphenoxy)pyrimidin-2-yl]morpholine?
The InChIKey is UOVRXRKDTWDYDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2/c1-16-15-20(23-21(22-16)24-11-13-25-14-12-24)26-19-9-7-18(8-10-19)17-5-3-2-4-6-17/h2-10,15H,11-14H2,1H3.
What are the key properties of 4-[4-methyl-6-(4-phenylphenoxy)pyrimidin-2-yl]morpholine?
4-[4-methyl-6-(4-phenylphenoxy)pyrimidin-2-yl]morpholine has a molecular weight of 347.42 g/mol, XLogP of 4.08, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-methyl-6-(4-phenylphenoxy)pyrimidin-2-yl]morpholine is sourced from PubChem (CID 659795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).