4-[4-chloro-6-(4-methylphenyl)sulfanyl-1,3,5-triazin-2-yl]morpholine

C14H15ClN4OS — CID 62865788

IUPAC4-[4-chloro-6-(4-methylphenyl)sulfanyl-1,3,5-triazin-2-yl]morpholine
SMILESCc1ccc(Sc2nc(Cl)nc(N3CCOCC3)n2)cc1
InChIInChI=1S/C14H15ClN4OS/c1-10-2-4-11(5-3-10)21-14-17-12(15)16-13(18-14)19-6-8-20-9-7-19/h2-5H,6-9H2,1H3
InChIKeyZYOLOZQXFMJMOZ-UHFFFAOYSA-N
MW322.82 g/mol
LogP2.82
Rot. Bonds3

About 4-[4-chloro-6-(4-methylphenyl)sulfanyl-1,3,5-triazin-2-yl]morpholine

4-[4-chloro-6-(4-methylphenyl)sulfanyl-1,3,5-triazin-2-yl]morpholine (PubChem CID 62865788) has the molecular formula C14H15ClN4OS and a molecular weight of 322.82 g/mol. Its IUPAC name is 4-[4-chloro-6-(4-methylphenyl)sulfanyl-1,3,5-triazin-2-yl]morpholine.

Molecular Properties

Compound Name4-[4-chloro-6-(4-methylphenyl)sulfanyl-1,3,5-triazin-2-yl]morpholine
PubChem CID62865788
Molecular FormulaC14H15ClN4OS
Molecular Weight322.82 g/mol
Exact Mass322.07
IUPAC Name4-[4-chloro-6-(4-methylphenyl)sulfanyl-1,3,5-triazin-2-yl]morpholine
SMILESCc1ccc(Sc2nc(Cl)nc(N3CCOCC3)n2)cc1
InChIInChI=1S/C14H15ClN4OS/c1-10-2-4-11(5-3-10)21-14-17-12(15)16-13(18-14)19-6-8-20-9-7-19/h2-5H,6-9H2,1H3
InChIKeyZYOLOZQXFMJMOZ-UHFFFAOYSA-N
XLogP2.82
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.82
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-(4-chloro-6-propan-2-ylsulfanyl-1,3,5-triazin-2-yl)morpholine
CID 62865622
4-(4-chloro-6-ethylsulfanyl-1,3,5-triazin-2-yl)morpholine
CID 62866324
4-(4-chloro-6-propylsulfanyl-1,3,5-triazin-2-yl)morpholine
CID 62867376
4-chloro-N-(2,5-dimethylphenyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 3732346
4-[4-(azepan-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine;4-(4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-yl)morpholine
CID 45133473
2-chloro-4-(2-chlorophenyl)sulfanyl-6-piperidin-1-yl-1,3,5-triazine
CID 62867554
2-(4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-yl)-1,1-dimethylhydrazine
CID 83020025
4-chloro-N-(4-methylphenyl)-6-(4-methylphenyl)sulfanyl-1,3,5-triazin-2-amine
CID 141495635
4-[4-chloro-6-(5-methyl-3-pyridinyl)-1,3,5-triazin-2-yl]morpholine
CID 115375403
4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 106928670
4-chloro-N-(2-methylphenyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 748919
4-[4-chloro-6-(3-methyl-4-pyridinyl)-1,3,5-triazin-2-yl]morpholine
CID 66278843

Frequently Asked Questions

What is the IUPAC name of 4-[4-chloro-6-(4-methylphenyl)sulfanyl-1,3,5-triazin-2-yl]morpholine?
The IUPAC name of 4-[4-chloro-6-(4-methylphenyl)sulfanyl-1,3,5-triazin-2-yl]morpholine (CID 62865788) is 4-[4-chloro-6-(4-methylphenyl)sulfanyl-1,3,5-triazin-2-yl]morpholine.
What is the SMILES notation for 4-[4-chloro-6-(4-methylphenyl)sulfanyl-1,3,5-triazin-2-yl]morpholine?
The canonical SMILES for 4-[4-chloro-6-(4-methylphenyl)sulfanyl-1,3,5-triazin-2-yl]morpholine is Cc1ccc(Sc2nc(Cl)nc(N3CCOCC3)n2)cc1.
What is the InChIKey of 4-[4-chloro-6-(4-methylphenyl)sulfanyl-1,3,5-triazin-2-yl]morpholine?
The InChIKey is ZYOLOZQXFMJMOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN4OS/c1-10-2-4-11(5-3-10)21-14-17-12(15)16-13(18-14)19-6-8-20-9-7-19/h2-5H,6-9H2,1H3.
What are the key properties of 4-[4-chloro-6-(4-methylphenyl)sulfanyl-1,3,5-triazin-2-yl]morpholine?
4-[4-chloro-6-(4-methylphenyl)sulfanyl-1,3,5-triazin-2-yl]morpholine has a molecular weight of 322.82 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-chloro-6-(4-methylphenyl)sulfanyl-1,3,5-triazin-2-yl]morpholine is sourced from PubChem (CID 62865788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).