N-[1-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-2-methylpropan-2-yl]methanesulfonamide

C8H15ClN6O2S — CID 80838189

IUPACN-[1-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-2-methylpropan-2-yl]methanesulfonamide
SMILESCC(C)(CNc1nc(N)nc(Cl)n1)NS(C)(=O)=O
InChIInChI=1S/C8H15ClN6O2S/c1-8(2,15-18(3,16)17)4-11-7-13-5(9)12-6(10)14-7/h15H,4H2,1-3H3,(H3,10,11,12,13,14)
InChIKeyPKCXTNWBUHQIMQ-UHFFFAOYSA-N
MW294.77 g/mol
LogP-0.15
Rot. Bonds5

About N-[1-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-2-methylpropan-2-yl]methanesulfonamide

N-[1-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-2-methylpropan-2-yl]methanesulfonamide (PubChem CID 80838189) has the molecular formula C8H15ClN6O2S and a molecular weight of 294.77 g/mol. Its IUPAC name is N-[1-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-2-methylpropan-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-2-methylpropan-2-yl]methanesulfonamide
PubChem CID80838189
Molecular FormulaC8H15ClN6O2S
Molecular Weight294.77 g/mol
Exact Mass294.07
IUPAC NameN-[1-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-2-methylpropan-2-yl]methanesulfonamide
SMILESCC(C)(CNc1nc(N)nc(Cl)n1)NS(C)(=O)=O
InChIInChI=1S/C8H15ClN6O2S/c1-8(2,15-18(3,16)17)4-11-7-13-5(9)12-6(10)14-7/h15H,4H2,1-3H3,(H3,10,11,12,13,14)
InChIKeyPKCXTNWBUHQIMQ-UHFFFAOYSA-N
XLogP-0.15
TPSA122.89 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.77
LogP ≤ 5-0.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-[1-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-2-methylpropan-2-yl]methanesulfonamide with MolForge

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Related Compounds

N-[1-[(4,6-dimethylpyrimidin-2-yl)amino]-2-methylpropan-2-yl]methanesulfonamide
CID 63859356
4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-3,3-dimethylbutan-1-ol
CID 106149742
N-[1-[(2,5-dichloropyrimidin-4-yl)amino]-2-methylpropan-2-yl]methanesulfonamide
CID 79633335
6-chloro-2-N-prop-2-ynyl-1,3,5-triazine-2,4-diamine
CID 118444193
3-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-3-methylbutanamide
CID 106098676
N-[1-[(5-bromo-2-chloropyrimidin-4-yl)amino]-2-methylpropan-2-yl]methanesulfonamide
CID 79072516
N-[1-[(6-aminopyrazin-2-yl)amino]-2-methylpropan-2-yl]methanesulfonamide
CID 78953806
N-[2-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]ethyl]methanesulfonamide
CID 62870440
6-chloro-2-N-[2-(dimethylamino)ethyl]-1,3,5-triazine-2,4-diamine
CID 80770653
N-[1-[(6-chloro-4,5-dimethylpyridazin-3-yl)amino]-2-methylpropan-2-yl]methanesulfonamide
CID 63860840
6-chloro-2-N-(3-ethoxypropyl)-1,3,5-triazine-2,4-diamine
CID 80772319
6-chloro-2-N,2-N-dimethyl-4-N-(2-methyl-2-methylsulfonylpropyl)-1,3,5-triazine-2,4-diamine
CID 79557079

Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-2-methylpropan-2-yl]methanesulfonamide?
The IUPAC name of N-[1-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-2-methylpropan-2-yl]methanesulfonamide (CID 80838189) is N-[1-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-2-methylpropan-2-yl]methanesulfonamide.
What is the SMILES notation for N-[1-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-2-methylpropan-2-yl]methanesulfonamide?
The canonical SMILES for N-[1-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-2-methylpropan-2-yl]methanesulfonamide is CC(C)(CNc1nc(N)nc(Cl)n1)NS(C)(=O)=O.
What is the InChIKey of N-[1-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-2-methylpropan-2-yl]methanesulfonamide?
The InChIKey is PKCXTNWBUHQIMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15ClN6O2S/c1-8(2,15-18(3,16)17)4-11-7-13-5(9)12-6(10)14-7/h15H,4H2,1-3H3,(H3,10,11,12,13,14).
What are the key properties of N-[1-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-2-methylpropan-2-yl]methanesulfonamide?
N-[1-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-2-methylpropan-2-yl]methanesulfonamide has a molecular weight of 294.77 g/mol, XLogP of -0.15, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-2-methylpropan-2-yl]methanesulfonamide is sourced from PubChem (CID 80838189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).