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

C10H15ClN4OS — CID 62867376

IUPAC4-(4-chloro-6-propylsulfanyl-1,3,5-triazin-2-yl)morpholine
SMILESCCCSc1nc(Cl)nc(N2CCOCC2)n1
InChIInChI=1S/C10H15ClN4OS/c1-2-7-17-10-13-8(11)12-9(14-10)15-3-5-16-6-4-15/h2-7H2,1H3
InChIKeyCBTMYMVOFJDLOE-UHFFFAOYSA-N
MW274.78 g/mol
LogP1.86
Rot. Bonds4

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

4-(4-chloro-6-propylsulfanyl-1,3,5-triazin-2-yl)morpholine (PubChem CID 62867376) has the molecular formula C10H15ClN4OS and a molecular weight of 274.78 g/mol. Its IUPAC name is 4-(4-chloro-6-propylsulfanyl-1,3,5-triazin-2-yl)morpholine.

Molecular Properties

Compound Name4-(4-chloro-6-propylsulfanyl-1,3,5-triazin-2-yl)morpholine
PubChem CID62867376
Molecular FormulaC10H15ClN4OS
Molecular Weight274.78 g/mol
Exact Mass274.07
IUPAC Name4-(4-chloro-6-propylsulfanyl-1,3,5-triazin-2-yl)morpholine
SMILESCCCSc1nc(Cl)nc(N2CCOCC2)n1
InChIInChI=1S/C10H15ClN4OS/c1-2-7-17-10-13-8(11)12-9(14-10)15-3-5-16-6-4-15/h2-7H2,1H3
InChIKeyCBTMYMVOFJDLOE-UHFFFAOYSA-N
XLogP1.86
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.78
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-6-propylsulfanyl-1,3,5-triazin-2-yl)morpholine?
The IUPAC name of 4-(4-chloro-6-propylsulfanyl-1,3,5-triazin-2-yl)morpholine (CID 62867376) is 4-(4-chloro-6-propylsulfanyl-1,3,5-triazin-2-yl)morpholine.
What is the SMILES notation for 4-(4-chloro-6-propylsulfanyl-1,3,5-triazin-2-yl)morpholine?
The canonical SMILES for 4-(4-chloro-6-propylsulfanyl-1,3,5-triazin-2-yl)morpholine is CCCSc1nc(Cl)nc(N2CCOCC2)n1.
What is the InChIKey of 4-(4-chloro-6-propylsulfanyl-1,3,5-triazin-2-yl)morpholine?
The InChIKey is CBTMYMVOFJDLOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN4OS/c1-2-7-17-10-13-8(11)12-9(14-10)15-3-5-16-6-4-15/h2-7H2,1H3.
What are the key properties of 4-(4-chloro-6-propylsulfanyl-1,3,5-triazin-2-yl)morpholine?
4-(4-chloro-6-propylsulfanyl-1,3,5-triazin-2-yl)morpholine has a molecular weight of 274.78 g/mol, XLogP of 1.86, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-6-propylsulfanyl-1,3,5-triazin-2-yl)morpholine is sourced from PubChem (CID 62867376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).