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

C10H18ClN5O2S — CID 79557079

IUPAC6-chloro-2-N,2-N-dimethyl-4-N-(2-methyl-2-methylsulfonylpropyl)-1,3,5-triazine-2,4-diamine
SMILESCN(C)c1nc(Cl)nc(NCC(C)(C)S(C)(=O)=O)n1
InChIInChI=1S/C10H18ClN5O2S/c1-10(2,19(5,17)18)6-12-8-13-7(11)14-9(15-8)16(3)4/h6H2,1-5H3,(H,12,13,14,15)
InChIKeyLGVVFAWEOMKKRD-UHFFFAOYSA-N
MW307.81 g/mol
LogP0.83
Rot. Bonds5

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

6-chloro-2-N,2-N-dimethyl-4-N-(2-methyl-2-methylsulfonylpropyl)-1,3,5-triazine-2,4-diamine (PubChem CID 79557079) has the molecular formula C10H18ClN5O2S and a molecular weight of 307.81 g/mol. Its IUPAC name is 6-chloro-2-N,2-N-dimethyl-4-N-(2-methyl-2-methylsulfonylpropyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-2-N,2-N-dimethyl-4-N-(2-methyl-2-methylsulfonylpropyl)-1,3,5-triazine-2,4-diamine
PubChem CID79557079
Molecular FormulaC10H18ClN5O2S
Molecular Weight307.81 g/mol
Exact Mass307.09
IUPAC Name6-chloro-2-N,2-N-dimethyl-4-N-(2-methyl-2-methylsulfonylpropyl)-1,3,5-triazine-2,4-diamine
SMILESCN(C)c1nc(Cl)nc(NCC(C)(C)S(C)(=O)=O)n1
InChIInChI=1S/C10H18ClN5O2S/c1-10(2,19(5,17)18)6-12-8-13-7(11)14-9(15-8)16(3)4/h6H2,1-5H3,(H,12,13,14,15)
InChIKeyLGVVFAWEOMKKRD-UHFFFAOYSA-N
XLogP0.83
TPSA88.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.81
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N,2-N-dimethyl-4-N-(2-methyl-2-methylsulfonylpropyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-2-N,2-N-dimethyl-4-N-(2-methyl-2-methylsulfonylpropyl)-1,3,5-triazine-2,4-diamine (CID 79557079) is 6-chloro-2-N,2-N-dimethyl-4-N-(2-methyl-2-methylsulfonylpropyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-2-N,2-N-dimethyl-4-N-(2-methyl-2-methylsulfonylpropyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-2-N,2-N-dimethyl-4-N-(2-methyl-2-methylsulfonylpropyl)-1,3,5-triazine-2,4-diamine is CN(C)c1nc(Cl)nc(NCC(C)(C)S(C)(=O)=O)n1.
What is the InChIKey of 6-chloro-2-N,2-N-dimethyl-4-N-(2-methyl-2-methylsulfonylpropyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is LGVVFAWEOMKKRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18ClN5O2S/c1-10(2,19(5,17)18)6-12-8-13-7(11)14-9(15-8)16(3)4/h6H2,1-5H3,(H,12,13,14,15).
What are the key properties of 6-chloro-2-N,2-N-dimethyl-4-N-(2-methyl-2-methylsulfonylpropyl)-1,3,5-triazine-2,4-diamine?
6-chloro-2-N,2-N-dimethyl-4-N-(2-methyl-2-methylsulfonylpropyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 307.81 g/mol, XLogP of 0.83, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N,2-N-dimethyl-4-N-(2-methyl-2-methylsulfonylpropyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 79557079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).