4-(4-chloro-6-ethylsulfanyl-1,3,5-triazin-2-yl)morpholine

C9H13ClN4OS — CID 62866324

IUPAC4-(4-chloro-6-ethylsulfanyl-1,3,5-triazin-2-yl)morpholine
SMILESCCSc1nc(Cl)nc(N2CCOCC2)n1
InChIInChI=1S/C9H13ClN4OS/c1-2-16-9-12-7(10)11-8(13-9)14-3-5-15-6-4-14/h2-6H2,1H3
InChIKeyNTSBTXFCXHBNOB-UHFFFAOYSA-N
MW260.75 g/mol
LogP1.47
Rot. Bonds3

About 4-(4-chloro-6-ethylsulfanyl-1,3,5-triazin-2-yl)morpholine

4-(4-chloro-6-ethylsulfanyl-1,3,5-triazin-2-yl)morpholine (PubChem CID 62866324) has the molecular formula C9H13ClN4OS and a molecular weight of 260.75 g/mol. Its IUPAC name is 4-(4-chloro-6-ethylsulfanyl-1,3,5-triazin-2-yl)morpholine.

Molecular Properties

Compound Name4-(4-chloro-6-ethylsulfanyl-1,3,5-triazin-2-yl)morpholine
PubChem CID62866324
Molecular FormulaC9H13ClN4OS
Molecular Weight260.75 g/mol
Exact Mass260.05
IUPAC Name4-(4-chloro-6-ethylsulfanyl-1,3,5-triazin-2-yl)morpholine
SMILESCCSc1nc(Cl)nc(N2CCOCC2)n1
InChIInChI=1S/C9H13ClN4OS/c1-2-16-9-12-7(10)11-8(13-9)14-3-5-15-6-4-14/h2-6H2,1H3
InChIKeyNTSBTXFCXHBNOB-UHFFFAOYSA-N
XLogP1.47
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.75
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-(4-chloro-6-ethylsulfanyl-1,3,5-triazin-2-yl)morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(4-chloro-6-propylsulfanyl-1,3,5-triazin-2-yl)morpholine
CID 62867376
4-(4-chloro-6-propan-2-ylsulfanyl-1,3,5-triazin-2-yl)morpholine
CID 62865622
4-[4-chloro-6-(4-methylphenyl)sulfanyl-1,3,5-triazin-2-yl]morpholine
CID 62865788
2-chloro-4-(2-methylbutylsulfanyl)-6-pyrrolidin-1-yl-1,3,5-triazine
CID 107751243
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
4-(4-chloro-2-ethylsulfanyl-6-morpholin-4-ylpteridin-7-yl)morpholine
CID 172797921
2-(4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-yl)-1,1-dimethylhydrazine
CID 83020025
2-chloro-4-(2-methylpropylsulfanyl)-6-piperidin-1-yl-1,3,5-triazine
CID 62868055
4-[4-chloro-6-(4-methyl-1,4-diazepan-1-yl)-1,3,5-triazin-2-yl]morpholine
CID 62868686
1-[(4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]butan-2-ol
CID 113492552
4-[4-chloro-6-(2-propoxyethoxy)-1,3,5-triazin-2-yl]morpholine
CID 63685639
4-chloro-N-(3-methylpentan-2-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 62863402

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-6-ethylsulfanyl-1,3,5-triazin-2-yl)morpholine?
The IUPAC name of 4-(4-chloro-6-ethylsulfanyl-1,3,5-triazin-2-yl)morpholine (CID 62866324) is 4-(4-chloro-6-ethylsulfanyl-1,3,5-triazin-2-yl)morpholine.
What is the SMILES notation for 4-(4-chloro-6-ethylsulfanyl-1,3,5-triazin-2-yl)morpholine?
The canonical SMILES for 4-(4-chloro-6-ethylsulfanyl-1,3,5-triazin-2-yl)morpholine is CCSc1nc(Cl)nc(N2CCOCC2)n1.
What is the InChIKey of 4-(4-chloro-6-ethylsulfanyl-1,3,5-triazin-2-yl)morpholine?
The InChIKey is NTSBTXFCXHBNOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN4OS/c1-2-16-9-12-7(10)11-8(13-9)14-3-5-15-6-4-14/h2-6H2,1H3.
What are the key properties of 4-(4-chloro-6-ethylsulfanyl-1,3,5-triazin-2-yl)morpholine?
4-(4-chloro-6-ethylsulfanyl-1,3,5-triazin-2-yl)morpholine has a molecular weight of 260.75 g/mol, XLogP of 1.47, 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-ethylsulfanyl-1,3,5-triazin-2-yl)morpholine is sourced from PubChem (CID 62866324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).