4-[2-[(4-chlorophenyl)methylsulfanyl]-6-(methoxymethyl)pyrimidin-4-yl]morpholine

C17H20ClN3O2S — CID 3738221

IUPAC4-[2-[(4-chlorophenyl)methylsulfanyl]-6-(methoxymethyl)pyrimidin-4-yl]morpholine
SMILESCOCc1cc(N2CCOCC2)nc(SCc2ccc(Cl)cc2)n1
InChIInChI=1S/C17H20ClN3O2S/c1-22-11-15-10-16(21-6-8-23-9-7-21)20-17(19-15)24-12-13-2-4-14(18)5-3-13/h2-5,10H,6-9,11-12H2,1H3
InChIKeyVZDKOZMMYWDIPL-UHFFFAOYSA-N
MW365.89 g/mol
LogP3.41
Rot. Bonds6

About 4-[2-[(4-chlorophenyl)methylsulfanyl]-6-(methoxymethyl)pyrimidin-4-yl]morpholine

4-[2-[(4-chlorophenyl)methylsulfanyl]-6-(methoxymethyl)pyrimidin-4-yl]morpholine (PubChem CID 3738221) has the molecular formula C17H20ClN3O2S and a molecular weight of 365.89 g/mol. Its IUPAC name is 4-[2-[(4-chlorophenyl)methylsulfanyl]-6-(methoxymethyl)pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[2-[(4-chlorophenyl)methylsulfanyl]-6-(methoxymethyl)pyrimidin-4-yl]morpholine
PubChem CID3738221
Molecular FormulaC17H20ClN3O2S
Molecular Weight365.89 g/mol
Exact Mass365.10
IUPAC Name4-[2-[(4-chlorophenyl)methylsulfanyl]-6-(methoxymethyl)pyrimidin-4-yl]morpholine
SMILESCOCc1cc(N2CCOCC2)nc(SCc2ccc(Cl)cc2)n1
InChIInChI=1S/C17H20ClN3O2S/c1-22-11-15-10-16(21-6-8-23-9-7-21)20-17(19-15)24-12-13-2-4-14(18)5-3-13/h2-5,10H,6-9,11-12H2,1H3
InChIKeyVZDKOZMMYWDIPL-UHFFFAOYSA-N
XLogP3.41
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.89
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-chlorophenyl)methyl]-6-(methoxymethyl)-2-methylpyrimidin-4-amine
CID 1476795
Benzyl 2-((4-methyl-6-morpholinopyrimidin-2-yl)thio)acetate
CID 2147953
2-[(2-Chlorobenzyl)thio]-4-(dimethoxymethyl)pyrimidine
CID 2745146
4-[2-(2,6-Dichloro-benzylsulfanyl)-6-methyl-pyrimidin-4-yl]-morpholine
CID 1136274
4-[2-[(2,4-Dichlorophenyl)methylthio]-6-methyl-4-pyrimidinyl]morpholine
CID 1484540
1-(4-Chlorophenyl)-2-((4-methyl-6-morpholinopyrimidin-2-yl)thio)ethanone
CID 2141445
4-[6-(Methoxymethyl)-2-phenylpyrimidin-4-yl]morpholine
CID 1476663
4-[2-[(3,4-Dichlorophenyl)methylthio]-6-[(methylthio)methyl]-4-pyrimidinyl]morpholine
CID 1475531
4-{2-[(2,4-Dichlorobenzyl)sulfanyl]-6-[(methylsulfanyl)methyl]-4-pyrimidinyl}morpholine
CID 1475540
2-(4-Chlorophenyl)-4-[6-(methoxymethyl)pyrimidin-4-yl]morpholine
CID 56867372
2-(4-Chlorophenyl)-4-[(4,6-dimethylpyrimidin-2-yl)methyl]morpholine
CID 56878398
Cambridge id 5353925
CID 3480854

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(4-chlorophenyl)methylsulfanyl]-6-(methoxymethyl)pyrimidin-4-yl]morpholine?
The IUPAC name of 4-[2-[(4-chlorophenyl)methylsulfanyl]-6-(methoxymethyl)pyrimidin-4-yl]morpholine (CID 3738221) is 4-[2-[(4-chlorophenyl)methylsulfanyl]-6-(methoxymethyl)pyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[2-[(4-chlorophenyl)methylsulfanyl]-6-(methoxymethyl)pyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[2-[(4-chlorophenyl)methylsulfanyl]-6-(methoxymethyl)pyrimidin-4-yl]morpholine is COCc1cc(N2CCOCC2)nc(SCc2ccc(Cl)cc2)n1.
What is the InChIKey of 4-[2-[(4-chlorophenyl)methylsulfanyl]-6-(methoxymethyl)pyrimidin-4-yl]morpholine?
The InChIKey is VZDKOZMMYWDIPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O2S/c1-22-11-15-10-16(21-6-8-23-9-7-21)20-17(19-15)24-12-13-2-4-14(18)5-3-13/h2-5,10H,6-9,11-12H2,1H3.
What are the key properties of 4-[2-[(4-chlorophenyl)methylsulfanyl]-6-(methoxymethyl)pyrimidin-4-yl]morpholine?
4-[2-[(4-chlorophenyl)methylsulfanyl]-6-(methoxymethyl)pyrimidin-4-yl]morpholine has a molecular weight of 365.89 g/mol, XLogP of 3.41, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(4-chlorophenyl)methylsulfanyl]-6-(methoxymethyl)pyrimidin-4-yl]morpholine is sourced from PubChem (CID 3738221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).