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

C10H16ClN5O2S — CID 62862839

IUPAC6-chloro-4-N-(1,1-dioxothian-4-yl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCN(C)c1nc(Cl)nc(NC2CCS(=O)(=O)CC2)n1
InChIInChI=1S/C10H16ClN5O2S/c1-16(2)10-14-8(11)13-9(15-10)12-7-3-5-19(17,18)6-4-7/h7H,3-6H2,1-2H3,(H,12,13,14,15)
InChIKeyHXACAHMAJCUOMK-UHFFFAOYSA-N
MW305.79 g/mol
LogP0.58
Rot. Bonds3

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

6-chloro-4-N-(1,1-dioxothian-4-yl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine (PubChem CID 62862839) has the molecular formula C10H16ClN5O2S and a molecular weight of 305.79 g/mol. Its IUPAC name is 6-chloro-4-N-(1,1-dioxothian-4-yl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-4-N-(1,1-dioxothian-4-yl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
PubChem CID62862839
Molecular FormulaC10H16ClN5O2S
Molecular Weight305.79 g/mol
Exact Mass305.07
IUPAC Name6-chloro-4-N-(1,1-dioxothian-4-yl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCN(C)c1nc(Cl)nc(NC2CCS(=O)(=O)CC2)n1
InChIInChI=1S/C10H16ClN5O2S/c1-16(2)10-14-8(11)13-9(15-10)12-7-3-5-19(17,18)6-4-7/h7H,3-6H2,1-2H3,(H,12,13,14,15)
InChIKeyHXACAHMAJCUOMK-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

Analyze 6-chloro-4-N-(1,1-dioxothian-4-yl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine with MolForge

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Launch Full Analysis

Related Compounds

6-chloro-4-N-[(1,1-dioxothiolan-3-yl)methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 62864188
4-chloro-N-(1,1-dioxothian-4-yl)-6-ethoxy-1,3,5-triazin-2-amine
CID 62857056
4-chloro-N-(1,1-dioxothian-4-yl)-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 62865280
4-N-(1,1-dioxothiolan-3-yl)-6-N-ethyl-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine
CID 80786050
6-chloro-4-N-(2,3-dimethylcyclopentyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 64920679
6-chloro-2-N,2-N-dimethyl-4-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-1,3,5-triazine-2,4-diamine
CID 65472615
N-(1,1-dioxothian-4-yl)-4,6-dimethylpyrimidin-2-amine
CID 43615421
4,6-dichloro-N-cyclopropyl-1,3,5-triazin-2-amine
CID 22254066
N-(1,1-dioxothian-4-yl)-4,6-dimethoxypyrimidin-2-amine
CID 115354965
4,6-dichloro-N-cyclobutyl-1,3,5-triazin-2-amine
CID 62868732
6-chloro-4-N-(cyclohexylmethyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 62864547
6-chloro-4-N-[2-[cyclopropyl(methyl)amino]ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 62980138

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-N-(1,1-dioxothian-4-yl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-4-N-(1,1-dioxothian-4-yl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine (CID 62862839) is 6-chloro-4-N-(1,1-dioxothian-4-yl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-4-N-(1,1-dioxothian-4-yl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-4-N-(1,1-dioxothian-4-yl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine is CN(C)c1nc(Cl)nc(NC2CCS(=O)(=O)CC2)n1.
What is the InChIKey of 6-chloro-4-N-(1,1-dioxothian-4-yl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The InChIKey is HXACAHMAJCUOMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN5O2S/c1-16(2)10-14-8(11)13-9(15-10)12-7-3-5-19(17,18)6-4-7/h7H,3-6H2,1-2H3,(H,12,13,14,15).
What are the key properties of 6-chloro-4-N-(1,1-dioxothian-4-yl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
6-chloro-4-N-(1,1-dioxothian-4-yl)-2-N,2-N-dimethyl-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-4-N-(1,1-dioxothian-4-yl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 62862839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).