2-(2-methoxyethylsulfanyl)-5-(3-methoxyphenyl)-4-piperidin-3-ylpyrimidine

C19H25N3O2S — CID 118759426

IUPAC2-(2-methoxyethylsulfanyl)-5-(3-methoxyphenyl)-4-piperidin-3-ylpyrimidine
SMILESCOCCSc1ncc(-c2cccc(OC)c2)c(C2CCCNC2)n1
InChIInChI=1S/C19H25N3O2S/c1-23-9-10-25-19-21-13-17(14-5-3-7-16(11-14)24-2)18(22-19)15-6-4-8-20-12-15/h3,5,7,11,13,15,20H,4,6,8-10,12H2,1-2H3
InChIKeySACCOLTWCVZCNF-UHFFFAOYSA-N
MW359.50 g/mol
LogP3.36
Rot. Bonds7

About 2-(2-methoxyethylsulfanyl)-5-(3-methoxyphenyl)-4-piperidin-3-ylpyrimidine

2-(2-methoxyethylsulfanyl)-5-(3-methoxyphenyl)-4-piperidin-3-ylpyrimidine (PubChem CID 118759426) has the molecular formula C19H25N3O2S and a molecular weight of 359.50 g/mol. Its IUPAC name is 2-(2-methoxyethylsulfanyl)-5-(3-methoxyphenyl)-4-piperidin-3-ylpyrimidine.

Molecular Properties

Compound Name2-(2-methoxyethylsulfanyl)-5-(3-methoxyphenyl)-4-piperidin-3-ylpyrimidine
PubChem CID118759426
Molecular FormulaC19H25N3O2S
Molecular Weight359.50 g/mol
Exact Mass359.17
IUPAC Name2-(2-methoxyethylsulfanyl)-5-(3-methoxyphenyl)-4-piperidin-3-ylpyrimidine
SMILESCOCCSc1ncc(-c2cccc(OC)c2)c(C2CCCNC2)n1
InChIInChI=1S/C19H25N3O2S/c1-23-9-10-25-19-21-13-17(14-5-3-7-16(11-14)24-2)18(22-19)15-6-4-8-20-12-15/h3,5,7,11,13,15,20H,4,6,8-10,12H2,1-2H3
InChIKeySACCOLTWCVZCNF-UHFFFAOYSA-N
XLogP3.36
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.50
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methyl-5-(3-methylphenyl)-4-piperidin-3-ylpyrimidine
CID 118760474
5-(4-methoxyphenyl)-4-piperidin-3-ylpyrimidin-2-amine
CID 110246159
3-(3-methoxyphenyl)-5-piperidin-3-yl-1,2,4-oxadiazole;hydrochloride
CID 119948489
3-(3-methoxyphenyl)-1-piperidin-3-ylimidazo[1,5-a]pyridine
CID 171543782
5-(3-methoxyphenyl)-4-piperidin-4-yl-2-pyridin-4-ylpyrimidine
CID 90058268
3-[5-[2-(3-methoxyphenoxy)ethylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]piperidine;hydrochloride
CID 154909145
5-(3-methoxyphenyl)-4-[(2R)-pyrrolidin-2-yl]pyrimidin-2-amine
CID 95814820
5-(3-methoxyphenoxy)-2-piperidin-3-ylpyrimidine
CID 117231461
N,N-dimethyl-5-phenyl-4-[(3R)-piperidin-3-yl]pyrimidin-2-amine
CID 124938721
2-[(3-methoxyphenyl)methyl]-4,6-dimethyl-5-piperidin-3-ylpyrimidine
CID 115069993
1-[4-[5-(3-fluorophenyl)-2-(2-methoxyethylsulfanyl)pyrimidin-4-yl]piperidin-1-yl]-3-(1H-imidazol-5-yl)prop-2-en-1-one
CID 74501673
3-(3-ethoxyphenyl)-5-piperidin-3-yl-1,2,4-oxadiazole
CID 43519291

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethylsulfanyl)-5-(3-methoxyphenyl)-4-piperidin-3-ylpyrimidine?
The IUPAC name of 2-(2-methoxyethylsulfanyl)-5-(3-methoxyphenyl)-4-piperidin-3-ylpyrimidine (CID 118759426) is 2-(2-methoxyethylsulfanyl)-5-(3-methoxyphenyl)-4-piperidin-3-ylpyrimidine.
What is the SMILES notation for 2-(2-methoxyethylsulfanyl)-5-(3-methoxyphenyl)-4-piperidin-3-ylpyrimidine?
The canonical SMILES for 2-(2-methoxyethylsulfanyl)-5-(3-methoxyphenyl)-4-piperidin-3-ylpyrimidine is COCCSc1ncc(-c2cccc(OC)c2)c(C2CCCNC2)n1.
What is the InChIKey of 2-(2-methoxyethylsulfanyl)-5-(3-methoxyphenyl)-4-piperidin-3-ylpyrimidine?
The InChIKey is SACCOLTWCVZCNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2S/c1-23-9-10-25-19-21-13-17(14-5-3-7-16(11-14)24-2)18(22-19)15-6-4-8-20-12-15/h3,5,7,11,13,15,20H,4,6,8-10,12H2,1-2H3.
What are the key properties of 2-(2-methoxyethylsulfanyl)-5-(3-methoxyphenyl)-4-piperidin-3-ylpyrimidine?
2-(2-methoxyethylsulfanyl)-5-(3-methoxyphenyl)-4-piperidin-3-ylpyrimidine has a molecular weight of 359.50 g/mol, XLogP of 3.36, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethylsulfanyl)-5-(3-methoxyphenyl)-4-piperidin-3-ylpyrimidine is sourced from PubChem (CID 118759426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).