4-[6-(3-methoxyphenyl)sulfanyl-2-phenylpyrimidin-4-yl]morpholine

C21H21N3O2S — CID 1484727

IUPAC4-[6-(3-methoxyphenyl)sulfanyl-2-phenylpyrimidin-4-yl]morpholine
SMILESCOc1cccc(Sc2cc(N3CCOCC3)nc(-c3ccccc3)n2)c1
InChIInChI=1S/C21H21N3O2S/c1-25-17-8-5-9-18(14-17)27-20-15-19(24-10-12-26-13-11-24)22-21(23-20)16-6-3-2-4-7-16/h2-9,14-15H,10-13H2,1H3
InChIKeyCXYOAMSUWCRZNA-UHFFFAOYSA-N
MW379.49 g/mol
LogP4.14
Rot. Bonds5

About 4-[6-(3-methoxyphenyl)sulfanyl-2-phenylpyrimidin-4-yl]morpholine

4-[6-(3-methoxyphenyl)sulfanyl-2-phenylpyrimidin-4-yl]morpholine (PubChem CID 1484727) has the molecular formula C21H21N3O2S and a molecular weight of 379.49 g/mol. Its IUPAC name is 4-[6-(3-methoxyphenyl)sulfanyl-2-phenylpyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[6-(3-methoxyphenyl)sulfanyl-2-phenylpyrimidin-4-yl]morpholine
PubChem CID1484727
Molecular FormulaC21H21N3O2S
Molecular Weight379.49 g/mol
Exact Mass379.14
IUPAC Name4-[6-(3-methoxyphenyl)sulfanyl-2-phenylpyrimidin-4-yl]morpholine
SMILESCOc1cccc(Sc2cc(N3CCOCC3)nc(-c3ccccc3)n2)c1
InChIInChI=1S/C21H21N3O2S/c1-25-17-8-5-9-18(14-17)27-20-15-19(24-10-12-26-13-11-24)22-21(23-20)16-6-3-2-4-7-16/h2-9,14-15H,10-13H2,1H3
InChIKeyCXYOAMSUWCRZNA-UHFFFAOYSA-N
XLogP4.14
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.49
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(3-methoxyphenyl)sulfanyl-2-phenylpyrimidin-4-yl]morpholine?
The IUPAC name of 4-[6-(3-methoxyphenyl)sulfanyl-2-phenylpyrimidin-4-yl]morpholine (CID 1484727) is 4-[6-(3-methoxyphenyl)sulfanyl-2-phenylpyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[6-(3-methoxyphenyl)sulfanyl-2-phenylpyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[6-(3-methoxyphenyl)sulfanyl-2-phenylpyrimidin-4-yl]morpholine is COc1cccc(Sc2cc(N3CCOCC3)nc(-c3ccccc3)n2)c1.
What is the InChIKey of 4-[6-(3-methoxyphenyl)sulfanyl-2-phenylpyrimidin-4-yl]morpholine?
The InChIKey is CXYOAMSUWCRZNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2S/c1-25-17-8-5-9-18(14-17)27-20-15-19(24-10-12-26-13-11-24)22-21(23-20)16-6-3-2-4-7-16/h2-9,14-15H,10-13H2,1H3.
What are the key properties of 4-[6-(3-methoxyphenyl)sulfanyl-2-phenylpyrimidin-4-yl]morpholine?
4-[6-(3-methoxyphenyl)sulfanyl-2-phenylpyrimidin-4-yl]morpholine has a molecular weight of 379.49 g/mol, XLogP of 4.14, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(3-methoxyphenyl)sulfanyl-2-phenylpyrimidin-4-yl]morpholine is sourced from PubChem (CID 1484727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).