6-chloro-4-N-methyl-2-N-(3-methylsulfinylbutyl)-1,3,5-triazine-2,4-diamine

C9H16ClN5OS — CID 113490935

IUPAC6-chloro-4-N-methyl-2-N-(3-methylsulfinylbutyl)-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(Cl)nc(NCCC(C)S(C)=O)n1
InChIInChI=1S/C9H16ClN5OS/c1-6(17(3)16)4-5-12-9-14-7(10)13-8(11-2)15-9/h6H,4-5H2,1-3H3,(H2,11,12,13,14,15)
InChIKeyYGSVTTWESRDTOP-UHFFFAOYSA-N
MW277.78 g/mol
LogP1.14
Rot. Bonds6

About 6-chloro-4-N-methyl-2-N-(3-methylsulfinylbutyl)-1,3,5-triazine-2,4-diamine

6-chloro-4-N-methyl-2-N-(3-methylsulfinylbutyl)-1,3,5-triazine-2,4-diamine (PubChem CID 113490935) has the molecular formula C9H16ClN5OS and a molecular weight of 277.78 g/mol. Its IUPAC name is 6-chloro-4-N-methyl-2-N-(3-methylsulfinylbutyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-4-N-methyl-2-N-(3-methylsulfinylbutyl)-1,3,5-triazine-2,4-diamine
PubChem CID113490935
Molecular FormulaC9H16ClN5OS
Molecular Weight277.78 g/mol
Exact Mass277.08
IUPAC Name6-chloro-4-N-methyl-2-N-(3-methylsulfinylbutyl)-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(Cl)nc(NCCC(C)S(C)=O)n1
InChIInChI=1S/C9H16ClN5OS/c1-6(17(3)16)4-5-12-9-14-7(10)13-8(11-2)15-9/h6H,4-5H2,1-3H3,(H2,11,12,13,14,15)
InChIKeyYGSVTTWESRDTOP-UHFFFAOYSA-N
XLogP1.14
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.78
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-N-methyl-2-N-(3-methylsulfinylbutyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-4-N-methyl-2-N-(3-methylsulfinylbutyl)-1,3,5-triazine-2,4-diamine (CID 113490935) is 6-chloro-4-N-methyl-2-N-(3-methylsulfinylbutyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-4-N-methyl-2-N-(3-methylsulfinylbutyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-4-N-methyl-2-N-(3-methylsulfinylbutyl)-1,3,5-triazine-2,4-diamine is CNc1nc(Cl)nc(NCCC(C)S(C)=O)n1.
What is the InChIKey of 6-chloro-4-N-methyl-2-N-(3-methylsulfinylbutyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is YGSVTTWESRDTOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16ClN5OS/c1-6(17(3)16)4-5-12-9-14-7(10)13-8(11-2)15-9/h6H,4-5H2,1-3H3,(H2,11,12,13,14,15).
What are the key properties of 6-chloro-4-N-methyl-2-N-(3-methylsulfinylbutyl)-1,3,5-triazine-2,4-diamine?
6-chloro-4-N-methyl-2-N-(3-methylsulfinylbutyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 277.78 g/mol, XLogP of 1.14, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-N-methyl-2-N-(3-methylsulfinylbutyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 113490935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).