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

C10H16ClN5O2S — CID 62864188

IUPAC6-chloro-4-N-[(1,1-dioxothiolan-3-yl)methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCN(C)c1nc(Cl)nc(NCC2CCS(=O)(=O)C2)n1
InChIInChI=1S/C10H16ClN5O2S/c1-16(2)10-14-8(11)13-9(15-10)12-5-7-3-4-19(17,18)6-7/h7H,3-6H2,1-2H3,(H,12,13,14,15)
InChIKeyZJZPFRXVZNEYBN-UHFFFAOYSA-N
MW305.79 g/mol
LogP0.44
Rot. Bonds4

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

6-chloro-4-N-[(1,1-dioxothiolan-3-yl)methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine (PubChem CID 62864188) has the molecular formula C10H16ClN5O2S and a molecular weight of 305.79 g/mol. Its IUPAC name is 6-chloro-4-N-[(1,1-dioxothiolan-3-yl)methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-4-N-[(1,1-dioxothiolan-3-yl)methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
PubChem CID62864188
Molecular FormulaC10H16ClN5O2S
Molecular Weight305.79 g/mol
Exact Mass305.07
IUPAC Name6-chloro-4-N-[(1,1-dioxothiolan-3-yl)methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCN(C)c1nc(Cl)nc(NCC2CCS(=O)(=O)C2)n1
InChIInChI=1S/C10H16ClN5O2S/c1-16(2)10-14-8(11)13-9(15-10)12-5-7-3-4-19(17,18)6-7/h7H,3-6H2,1-2H3,(H,12,13,14,15)
InChIKeyZJZPFRXVZNEYBN-UHFFFAOYSA-N
XLogP0.44
TPSA88.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.79
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-chloro-4-N-[(1,1-dioxothiolan-3-yl)methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-N-[(1,1-dioxothiolan-3-yl)methyl]-6-methoxy-1,3,5-triazin-2-amine
CID 62858145
6-chloro-4-N-(cyclohexylmethyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 62864547
6-chloro-4-N-(1,1-dioxothian-4-yl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 62862839
6-chloro-4-N-[(1-ethylpiperidin-4-yl)methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 62865016
6-chloro-4-N-[(1-ethylpyrrolidin-3-yl)methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 62865283
6-chloro-2-N,2-N-dimethyl-4-N-[(2-methylcyclohexyl)methyl]-1,3,5-triazine-2,4-diamine
CID 62862573
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
N-[(1,1-dioxothiolan-3-yl)methyl]-5,6-diethyl-1,2,4-triazin-3-amine
CID 105362481
4-N-[(1,1-dioxothiolan-2-yl)methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine
CID 81047209
2-N-[[(3S)-1,1-dioxothiolan-3-yl]methyl]-4-N-ethylpyrimidine-2,4-diamine
CID 95138074
2-N-[(1,1-dioxothiolan-3-yl)methyl]-6-ethoxy-1,3,5-triazine-2,4-diamine
CID 80822880
N-[(1,1-dioxothiolan-3-yl)methyl]-2,6-dimethylpyridin-4-amine
CID 114272163

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-N-[(1,1-dioxothiolan-3-yl)methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-4-N-[(1,1-dioxothiolan-3-yl)methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine (CID 62864188) is 6-chloro-4-N-[(1,1-dioxothiolan-3-yl)methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-4-N-[(1,1-dioxothiolan-3-yl)methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-4-N-[(1,1-dioxothiolan-3-yl)methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine is CN(C)c1nc(Cl)nc(NCC2CCS(=O)(=O)C2)n1.
What is the InChIKey of 6-chloro-4-N-[(1,1-dioxothiolan-3-yl)methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The InChIKey is ZJZPFRXVZNEYBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN5O2S/c1-16(2)10-14-8(11)13-9(15-10)12-5-7-3-4-19(17,18)6-7/h7H,3-6H2,1-2H3,(H,12,13,14,15).
What are the key properties of 6-chloro-4-N-[(1,1-dioxothiolan-3-yl)methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
6-chloro-4-N-[(1,1-dioxothiolan-3-yl)methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine has a molecular weight of 305.79 g/mol, XLogP of 0.44, 4 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-dioxothiolan-3-yl)methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 62864188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).