4-[2-[(2,4-dichlorophenyl)methylsulfanyl]-6-methylpyrimidin-4-yl]morpholine

C16H17Cl2N3OS — CID 1484540

IUPAC4-[2-[(2,4-dichlorophenyl)methylsulfanyl]-6-methylpyrimidin-4-yl]morpholine
SMILESCc1cc(N2CCOCC2)nc(SCc2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C16H17Cl2N3OS/c1-11-8-15(21-4-6-22-7-5-21)20-16(19-11)23-10-12-2-3-13(17)9-14(12)18/h2-3,8-9H,4-7,10H2,1H3
InChIKeyAGCSFEMNYLPWSY-UHFFFAOYSA-N
MW370.31 g/mol
LogP4.22
Rot. Bonds4

About 4-[2-[(2,4-dichlorophenyl)methylsulfanyl]-6-methylpyrimidin-4-yl]morpholine

4-[2-[(2,4-dichlorophenyl)methylsulfanyl]-6-methylpyrimidin-4-yl]morpholine (PubChem CID 1484540) has the molecular formula C16H17Cl2N3OS and a molecular weight of 370.31 g/mol. Its IUPAC name is 4-[2-[(2,4-dichlorophenyl)methylsulfanyl]-6-methylpyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[2-[(2,4-dichlorophenyl)methylsulfanyl]-6-methylpyrimidin-4-yl]morpholine
PubChem CID1484540
Molecular FormulaC16H17Cl2N3OS
Molecular Weight370.31 g/mol
Exact Mass369.05
IUPAC Name4-[2-[(2,4-dichlorophenyl)methylsulfanyl]-6-methylpyrimidin-4-yl]morpholine
SMILESCc1cc(N2CCOCC2)nc(SCc2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C16H17Cl2N3OS/c1-11-8-15(21-4-6-22-7-5-21)20-16(19-11)23-10-12-2-3-13(17)9-14(12)18/h2-3,8-9H,4-7,10H2,1H3
InChIKeyAGCSFEMNYLPWSY-UHFFFAOYSA-N
XLogP4.22
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.31
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(6-{[(4-Chlorophenyl)sulfanyl]methyl}-2-methyl-4-pyrimidinyl)morpholine
CID 1489495
5-Aminomethyl-6-(2,4-dichloro-phenyl)-2-morpholin-4-yl-pyrimidin-4-ylamine
CID 10308993
4-(6-((Methylsulfanyl)methyl)-2-phenyl-4-pyrimidinyl)morpholine
CID 1471380
2-(2-Chlorophenyl)-6-(4-morpholinyl)-4-pyrimidinyl methyl sulfide
CID 852304
2-(4-Chlorophenyl)-6-(4-morpholinyl)-4-pyrimidinyl isopropyl sulfide
CID 852308
2-(4-Chlorophenyl)-6-(4-morpholinyl)-4-pyrimidinyl ethyl sulfide
CID 852318
4-[2-(2,6-Dichloro-benzylsulfanyl)-6-methyl-pyrimidin-4-yl]-morpholine
CID 1136274
2-[(2,4-dichlorobenzyl)sulfanyl]-N-methyl-6-[(methylsulfanyl)methyl]-4-pyrimidinamine
CID 1475538
1-(4-Chlorophenyl)-2-((4-methyl-6-morpholinopyrimidin-2-yl)thio)ethanone
CID 2141445
4-[2-[(4-Chlorobenzyl)sulfanyl]-6-(methoxymethyl)-4-pyrimidinyl]morpholine
CID 3738221
4-[2-[(3,4-Dichlorophenyl)methylthio]-6-[(methylthio)methyl]-4-pyrimidinyl]morpholine
CID 1475531
2-[(2,4-dichlorobenzyl)sulfanyl]-N,N-dimethyl-6-[(methylsulfanyl)methyl]-4-pyrimidinamine
CID 1475539

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(2,4-dichlorophenyl)methylsulfanyl]-6-methylpyrimidin-4-yl]morpholine?
The IUPAC name of 4-[2-[(2,4-dichlorophenyl)methylsulfanyl]-6-methylpyrimidin-4-yl]morpholine (CID 1484540) is 4-[2-[(2,4-dichlorophenyl)methylsulfanyl]-6-methylpyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[2-[(2,4-dichlorophenyl)methylsulfanyl]-6-methylpyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[2-[(2,4-dichlorophenyl)methylsulfanyl]-6-methylpyrimidin-4-yl]morpholine is Cc1cc(N2CCOCC2)nc(SCc2ccc(Cl)cc2Cl)n1.
What is the InChIKey of 4-[2-[(2,4-dichlorophenyl)methylsulfanyl]-6-methylpyrimidin-4-yl]morpholine?
The InChIKey is AGCSFEMNYLPWSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2N3OS/c1-11-8-15(21-4-6-22-7-5-21)20-16(19-11)23-10-12-2-3-13(17)9-14(12)18/h2-3,8-9H,4-7,10H2,1H3.
What are the key properties of 4-[2-[(2,4-dichlorophenyl)methylsulfanyl]-6-methylpyrimidin-4-yl]morpholine?
4-[2-[(2,4-dichlorophenyl)methylsulfanyl]-6-methylpyrimidin-4-yl]morpholine has a molecular weight of 370.31 g/mol, XLogP of 4.22, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(2,4-dichlorophenyl)methylsulfanyl]-6-methylpyrimidin-4-yl]morpholine is sourced from PubChem (CID 1484540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).