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

C10H16ClN5O2S — CID 55125419

IUPAC6-chloro-2-N,2-N-dimethyl-4-N-(3-methyl-1,1-dioxothiolan-3-yl)-1,3,5-triazine-2,4-diamine
SMILESCN(C)c1nc(Cl)nc(NC2(C)CCS(=O)(=O)C2)n1
InChIInChI=1S/C10H16ClN5O2S/c1-10(4-5-19(17,18)6-10)15-8-12-7(11)13-9(14-8)16(2)3/h4-6H2,1-3H3,(H,12,13,14,15)
InChIKeyORGOOQNQHHYDTO-UHFFFAOYSA-N
MW305.79 g/mol
LogP0.58
Rot. Bonds3

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

6-chloro-2-N,2-N-dimethyl-4-N-(3-methyl-1,1-dioxothiolan-3-yl)-1,3,5-triazine-2,4-diamine (PubChem CID 55125419) has the molecular formula C10H16ClN5O2S and a molecular weight of 305.79 g/mol. Its IUPAC name is 6-chloro-2-N,2-N-dimethyl-4-N-(3-methyl-1,1-dioxothiolan-3-yl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-2-N,2-N-dimethyl-4-N-(3-methyl-1,1-dioxothiolan-3-yl)-1,3,5-triazine-2,4-diamine
PubChem CID55125419
Molecular FormulaC10H16ClN5O2S
Molecular Weight305.79 g/mol
Exact Mass305.07
IUPAC Name6-chloro-2-N,2-N-dimethyl-4-N-(3-methyl-1,1-dioxothiolan-3-yl)-1,3,5-triazine-2,4-diamine
SMILESCN(C)c1nc(Cl)nc(NC2(C)CCS(=O)(=O)C2)n1
InChIInChI=1S/C10H16ClN5O2S/c1-10(4-5-19(17,18)6-10)15-8-12-7(11)13-9(14-8)16(2)3/h4-6H2,1-3H3,(H,12,13,14,15)
InChIKeyORGOOQNQHHYDTO-UHFFFAOYSA-N
XLogP0.58
TPSA88.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.79
LogP ≤ 50.58
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-(3-methyl-1,1-dioxothiolan-3-yl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-2-N,2-N-dimethyl-4-N-(3-methyl-1,1-dioxothiolan-3-yl)-1,3,5-triazine-2,4-diamine (CID 55125419) is 6-chloro-2-N,2-N-dimethyl-4-N-(3-methyl-1,1-dioxothiolan-3-yl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-2-N,2-N-dimethyl-4-N-(3-methyl-1,1-dioxothiolan-3-yl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-2-N,2-N-dimethyl-4-N-(3-methyl-1,1-dioxothiolan-3-yl)-1,3,5-triazine-2,4-diamine is CN(C)c1nc(Cl)nc(NC2(C)CCS(=O)(=O)C2)n1.
What is the InChIKey of 6-chloro-2-N,2-N-dimethyl-4-N-(3-methyl-1,1-dioxothiolan-3-yl)-1,3,5-triazine-2,4-diamine?
The InChIKey is ORGOOQNQHHYDTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN5O2S/c1-10(4-5-19(17,18)6-10)15-8-12-7(11)13-9(14-8)16(2)3/h4-6H2,1-3H3,(H,12,13,14,15).
What are the key properties of 6-chloro-2-N,2-N-dimethyl-4-N-(3-methyl-1,1-dioxothiolan-3-yl)-1,3,5-triazine-2,4-diamine?
6-chloro-2-N,2-N-dimethyl-4-N-(3-methyl-1,1-dioxothiolan-3-yl)-1,3,5-triazine-2,4-diamine has a molecular weight of 305.79 g/mol, XLogP of 0.58, 3 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-(3-methyl-1,1-dioxothiolan-3-yl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 55125419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).