4-chloro-6-imidazol-1-yl-N-(1-methylsulfonylpropan-2-yl)-1,3,5-triazin-2-amine

C10H13ClN6O2S — CID 64642088

IUPAC4-chloro-6-imidazol-1-yl-N-(1-methylsulfonylpropan-2-yl)-1,3,5-triazin-2-amine
SMILESCC(CS(C)(=O)=O)Nc1nc(Cl)nc(-n2ccnc2)n1
InChIInChI=1S/C10H13ClN6O2S/c1-7(5-20(2,18)19)13-9-14-8(11)15-10(16-9)17-4-3-12-6-17/h3-4,6-7H,5H2,1-2H3,(H,13,14,15,16)
InChIKeyDOPSSRDUALXHLH-UHFFFAOYSA-N
MW316.77 g/mol
LogP0.56
Rot. Bonds5

About 4-chloro-6-imidazol-1-yl-N-(1-methylsulfonylpropan-2-yl)-1,3,5-triazin-2-amine

4-chloro-6-imidazol-1-yl-N-(1-methylsulfonylpropan-2-yl)-1,3,5-triazin-2-amine (PubChem CID 64642088) has the molecular formula C10H13ClN6O2S and a molecular weight of 316.77 g/mol. Its IUPAC name is 4-chloro-6-imidazol-1-yl-N-(1-methylsulfonylpropan-2-yl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-imidazol-1-yl-N-(1-methylsulfonylpropan-2-yl)-1,3,5-triazin-2-amine
PubChem CID64642088
Molecular FormulaC10H13ClN6O2S
Molecular Weight316.77 g/mol
Exact Mass316.05
IUPAC Name4-chloro-6-imidazol-1-yl-N-(1-methylsulfonylpropan-2-yl)-1,3,5-triazin-2-amine
SMILESCC(CS(C)(=O)=O)Nc1nc(Cl)nc(-n2ccnc2)n1
InChIInChI=1S/C10H13ClN6O2S/c1-7(5-20(2,18)19)13-9-14-8(11)15-10(16-9)17-4-3-12-6-17/h3-4,6-7H,5H2,1-2H3,(H,13,14,15,16)
InChIKeyDOPSSRDUALXHLH-UHFFFAOYSA-N
XLogP0.56
TPSA102.66 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.77
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

4-chloro-6-imidazol-1-yl-N-pent-4-yn-2-yl-1,3,5-triazin-2-amine
CID 114156803
4-chloro-6-imidazol-1-yl-N-(3-methylbutan-2-yl)-1,3,5-triazin-2-amine
CID 62869319
4-chloro-N-(1-methylsulfonylpropan-2-yl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 64644222
4-chloro-N-[1-(furan-2-yl)propan-2-yl]-6-imidazol-1-yl-1,3,5-triazin-2-amine
CID 62864444
4-chloro-N-(2,3-dimethylbutyl)-6-imidazol-1-yl-1,3,5-triazin-2-amine
CID 64596820
2-[(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]-N-propan-2-ylacetamide
CID 62864217
4-chloro-6-imidazol-1-yl-N-[1-(5-methylfuran-2-yl)ethyl]-1,3,5-triazin-2-amine
CID 62864098
4-chloro-6-imidazol-1-yl-N-[1-(1H-pyrazol-4-yl)ethyl]-1,3,5-triazin-2-amine
CID 106214337
2-chloro-4,6-di(imidazol-1-yl)-1,3,5-triazine
CID 62863486
N-tert-butyl-2-[(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]acetamide
CID 115356878
4-chloro-6-imidazol-1-yl-N-(1-thiophen-2-ylpropyl)-1,3,5-triazin-2-amine
CID 62864454
2-N-[1-(diethylamino)propan-2-yl]-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80795295

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-imidazol-1-yl-N-(1-methylsulfonylpropan-2-yl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-imidazol-1-yl-N-(1-methylsulfonylpropan-2-yl)-1,3,5-triazin-2-amine (CID 64642088) is 4-chloro-6-imidazol-1-yl-N-(1-methylsulfonylpropan-2-yl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-imidazol-1-yl-N-(1-methylsulfonylpropan-2-yl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-imidazol-1-yl-N-(1-methylsulfonylpropan-2-yl)-1,3,5-triazin-2-amine is CC(CS(C)(=O)=O)Nc1nc(Cl)nc(-n2ccnc2)n1.
What is the InChIKey of 4-chloro-6-imidazol-1-yl-N-(1-methylsulfonylpropan-2-yl)-1,3,5-triazin-2-amine?
The InChIKey is DOPSSRDUALXHLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN6O2S/c1-7(5-20(2,18)19)13-9-14-8(11)15-10(16-9)17-4-3-12-6-17/h3-4,6-7H,5H2,1-2H3,(H,13,14,15,16).
What are the key properties of 4-chloro-6-imidazol-1-yl-N-(1-methylsulfonylpropan-2-yl)-1,3,5-triazin-2-amine?
4-chloro-6-imidazol-1-yl-N-(1-methylsulfonylpropan-2-yl)-1,3,5-triazin-2-amine has a molecular weight of 316.77 g/mol, XLogP of 0.56, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-imidazol-1-yl-N-(1-methylsulfonylpropan-2-yl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 64642088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).