4-[2-(2-methyl-6-phenylpyrimidin-4-yl)sulfanylethyl]morpholine

C17H21N3OS — CID 22695472

IUPAC4-[2-(2-methyl-6-phenylpyrimidin-4-yl)sulfanylethyl]morpholine
SMILESCc1nc(SCCN2CCOCC2)cc(-c2ccccc2)n1
InChIInChI=1S/C17H21N3OS/c1-14-18-16(15-5-3-2-4-6-15)13-17(19-14)22-12-9-20-7-10-21-11-8-20/h2-6,13H,7-12H2,1H3
InChIKeyPCXWBIBAUOTFNS-UHFFFAOYSA-N
MW315.44 g/mol
LogP2.88
Rot. Bonds5

About 4-[2-(2-methyl-6-phenylpyrimidin-4-yl)sulfanylethyl]morpholine

4-[2-(2-methyl-6-phenylpyrimidin-4-yl)sulfanylethyl]morpholine (PubChem CID 22695472) has the molecular formula C17H21N3OS and a molecular weight of 315.44 g/mol. Its IUPAC name is 4-[2-(2-methyl-6-phenylpyrimidin-4-yl)sulfanylethyl]morpholine.

Molecular Properties

Compound Name4-[2-(2-methyl-6-phenylpyrimidin-4-yl)sulfanylethyl]morpholine
PubChem CID22695472
Molecular FormulaC17H21N3OS
Molecular Weight315.44 g/mol
Exact Mass315.14
IUPAC Name4-[2-(2-methyl-6-phenylpyrimidin-4-yl)sulfanylethyl]morpholine
SMILESCc1nc(SCCN2CCOCC2)cc(-c2ccccc2)n1
InChIInChI=1S/C17H21N3OS/c1-14-18-16(15-5-3-2-4-6-15)13-17(19-14)22-12-9-20-7-10-21-11-8-20/h2-6,13H,7-12H2,1H3
InChIKeyPCXWBIBAUOTFNS-UHFFFAOYSA-N
XLogP2.88
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-methyl-6-phenylpyrimidin-4-yl)sulfanylethyl]morpholine?
The IUPAC name of 4-[2-(2-methyl-6-phenylpyrimidin-4-yl)sulfanylethyl]morpholine (CID 22695472) is 4-[2-(2-methyl-6-phenylpyrimidin-4-yl)sulfanylethyl]morpholine.
What is the SMILES notation for 4-[2-(2-methyl-6-phenylpyrimidin-4-yl)sulfanylethyl]morpholine?
The canonical SMILES for 4-[2-(2-methyl-6-phenylpyrimidin-4-yl)sulfanylethyl]morpholine is Cc1nc(SCCN2CCOCC2)cc(-c2ccccc2)n1.
What is the InChIKey of 4-[2-(2-methyl-6-phenylpyrimidin-4-yl)sulfanylethyl]morpholine?
The InChIKey is PCXWBIBAUOTFNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3OS/c1-14-18-16(15-5-3-2-4-6-15)13-17(19-14)22-12-9-20-7-10-21-11-8-20/h2-6,13H,7-12H2,1H3.
What are the key properties of 4-[2-(2-methyl-6-phenylpyrimidin-4-yl)sulfanylethyl]morpholine?
4-[2-(2-methyl-6-phenylpyrimidin-4-yl)sulfanylethyl]morpholine has a molecular weight of 315.44 g/mol, XLogP of 2.88, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-methyl-6-phenylpyrimidin-4-yl)sulfanylethyl]morpholine is sourced from PubChem (CID 22695472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).