4-chloro-N,N-dimethyl-6-thiomorpholin-4-yl-1,3,5-triazin-2-amine

C9H14ClN5S — CID 62868516

IUPAC4-chloro-N,N-dimethyl-6-thiomorpholin-4-yl-1,3,5-triazin-2-amine
SMILESCN(C)c1nc(Cl)nc(N2CCSCC2)n1
InChIInChI=1S/C9H14ClN5S/c1-14(2)8-11-7(10)12-9(13-8)15-3-5-16-6-4-15/h3-6H2,1-2H3
InChIKeyGWHIKXGUPJXNPB-UHFFFAOYSA-N
MW259.77 g/mol
LogP1.14
Rot. Bonds2

About 4-chloro-N,N-dimethyl-6-thiomorpholin-4-yl-1,3,5-triazin-2-amine

4-chloro-N,N-dimethyl-6-thiomorpholin-4-yl-1,3,5-triazin-2-amine (PubChem CID 62868516) has the molecular formula C9H14ClN5S and a molecular weight of 259.77 g/mol. Its IUPAC name is 4-chloro-N,N-dimethyl-6-thiomorpholin-4-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N,N-dimethyl-6-thiomorpholin-4-yl-1,3,5-triazin-2-amine
PubChem CID62868516
Molecular FormulaC9H14ClN5S
Molecular Weight259.77 g/mol
Exact Mass259.07
IUPAC Name4-chloro-N,N-dimethyl-6-thiomorpholin-4-yl-1,3,5-triazin-2-amine
SMILESCN(C)c1nc(Cl)nc(N2CCSCC2)n1
InChIInChI=1S/C9H14ClN5S/c1-14(2)8-11-7(10)12-9(13-8)15-3-5-16-6-4-15/h3-6H2,1-2H3
InChIKeyGWHIKXGUPJXNPB-UHFFFAOYSA-N
XLogP1.14
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.77
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-N,N-dimethyl-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 10681597
1-[4-[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]piperazin-1-yl]ethanone
CID 62868838
4-chloro-6-(4,4-diethylpiperidin-1-yl)-N,N-dimethyl-1,3,5-triazin-2-amine
CID 63161811
4-chloro-6-(4,4-dimethylazepan-1-yl)-N,N-dimethyl-1,3,5-triazin-2-amine
CID 65282191
1-[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]-N-methylpiperidine-4-carboxamide
CID 62864781
4-chloro-N,N-dimethyl-6-(2-methyl-1,4-oxazepan-4-yl)-1,3,5-triazin-2-amine
CID 62967640
4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-6-chloro-N,N-dimethyl-1,3,5-triazin-2-amine
CID 79943695
4-chloro-6-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-N,N-dimethyl-1,3,5-triazin-2-amine
CID 55144623
4-chloro-N,N-dimethyl-6-(3-piperidin-1-ylpyrrolidin-1-yl)-1,3,5-triazin-2-amine
CID 63171122
4-chloro-N-methyl-6-piperidin-1-yl-N-propan-2-yl-1,3,5-triazin-2-amine
CID 62868341
4-chloro-N,N-dimethyl-6-(3-morpholin-4-ylpyrrolidin-1-yl)-1,3,5-triazin-2-amine
CID 63171342
2-[(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-methylamino]ethanol
CID 55124109

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N,N-dimethyl-6-thiomorpholin-4-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N,N-dimethyl-6-thiomorpholin-4-yl-1,3,5-triazin-2-amine (CID 62868516) is 4-chloro-N,N-dimethyl-6-thiomorpholin-4-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N,N-dimethyl-6-thiomorpholin-4-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N,N-dimethyl-6-thiomorpholin-4-yl-1,3,5-triazin-2-amine is CN(C)c1nc(Cl)nc(N2CCSCC2)n1.
What is the InChIKey of 4-chloro-N,N-dimethyl-6-thiomorpholin-4-yl-1,3,5-triazin-2-amine?
The InChIKey is GWHIKXGUPJXNPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClN5S/c1-14(2)8-11-7(10)12-9(13-8)15-3-5-16-6-4-15/h3-6H2,1-2H3.
What are the key properties of 4-chloro-N,N-dimethyl-6-thiomorpholin-4-yl-1,3,5-triazin-2-amine?
4-chloro-N,N-dimethyl-6-thiomorpholin-4-yl-1,3,5-triazin-2-amine has a molecular weight of 259.77 g/mol, XLogP of 1.14, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N,N-dimethyl-6-thiomorpholin-4-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 62868516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).