2-[(6-amino-5-chloropyrimidin-4-yl)amino]-N,N-dimethylethanesulfonamide

C8H14ClN5O2S — CID 114176047

IUPAC2-[(6-amino-5-chloropyrimidin-4-yl)amino]-N,N-dimethylethanesulfonamide
SMILESCN(C)S(=O)(=O)CCNc1ncnc(N)c1Cl
InChIInChI=1S/C8H14ClN5O2S/c1-14(2)17(15,16)4-3-11-8-6(9)7(10)12-5-13-8/h5H,3-4H2,1-2H3,(H3,10,11,12,13)
InChIKeyCAQIWHKNZFEAGQ-UHFFFAOYSA-N
MW279.75 g/mol
LogP0.02
Rot. Bonds5

About 2-[(6-amino-5-chloropyrimidin-4-yl)amino]-N,N-dimethylethanesulfonamide

2-[(6-amino-5-chloropyrimidin-4-yl)amino]-N,N-dimethylethanesulfonamide (PubChem CID 114176047) has the molecular formula C8H14ClN5O2S and a molecular weight of 279.75 g/mol. Its IUPAC name is 2-[(6-amino-5-chloropyrimidin-4-yl)amino]-N,N-dimethylethanesulfonamide.

Molecular Properties

Compound Name2-[(6-amino-5-chloropyrimidin-4-yl)amino]-N,N-dimethylethanesulfonamide
PubChem CID114176047
Molecular FormulaC8H14ClN5O2S
Molecular Weight279.75 g/mol
Exact Mass279.06
IUPAC Name2-[(6-amino-5-chloropyrimidin-4-yl)amino]-N,N-dimethylethanesulfonamide
SMILESCN(C)S(=O)(=O)CCNc1ncnc(N)c1Cl
InChIInChI=1S/C8H14ClN5O2S/c1-14(2)17(15,16)4-3-11-8-6(9)7(10)12-5-13-8/h5H,3-4H2,1-2H3,(H3,10,11,12,13)
InChIKeyCAQIWHKNZFEAGQ-UHFFFAOYSA-N
XLogP0.02
TPSA101.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.75
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[(6-amino-5-chloropyrimidin-4-yl)amino]-N,N-dimethylethanesulfonamide 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

5-chloro-4-N-[2-(dimethylamino)ethyl]pyrimidine-4,6-diamine
CID 106811696
5-chloro-4-N-[2-[2-(dimethylamino)ethoxy]ethyl]pyrimidine-4,6-diamine
CID 114129038
5-chloro-4-N-[2-(dimethylamino)propyl]pyrimidine-4,6-diamine
CID 106811925
5-chloro-4-N-(2-ethylsulfinylethyl)pyrimidine-4,6-diamine
CID 106812041
N,N-dimethyl-2-[[6-(methylamino)-5-nitropyrimidin-4-yl]amino]ethanesulfonamide
CID 106343456
5-chloro-4-N-(2,2-dimethylpropyl)pyrimidine-4,6-diamine
CID 106811895
2-[(6-hydrazinylpyrimidin-4-yl)amino]-N,N-dimethylethanesulfonamide
CID 106341141
2-[(3-amino-5-bromo-2-pyridinyl)amino]-N,N-dimethylethanesulfonamide
CID 106334551
2-[(2-amino-5-fluoropyrimidin-4-yl)amino]-N,N-dimethylethanesulfonamide
CID 106343575
2-[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]-N,N-dimethylethanesulfonamide
CID 106334627
N,N-dimethyl-2-[[6-(methylamino)pyrimidin-4-yl]amino]ethanesulfonamide
CID 114176091
(2R)-1-[(6-amino-5-chloropyrimidin-4-yl)amino]propan-2-ol
CID 130619296

Frequently Asked Questions

What is the IUPAC name of 2-[(6-amino-5-chloropyrimidin-4-yl)amino]-N,N-dimethylethanesulfonamide?
The IUPAC name of 2-[(6-amino-5-chloropyrimidin-4-yl)amino]-N,N-dimethylethanesulfonamide (CID 114176047) is 2-[(6-amino-5-chloropyrimidin-4-yl)amino]-N,N-dimethylethanesulfonamide.
What is the SMILES notation for 2-[(6-amino-5-chloropyrimidin-4-yl)amino]-N,N-dimethylethanesulfonamide?
The canonical SMILES for 2-[(6-amino-5-chloropyrimidin-4-yl)amino]-N,N-dimethylethanesulfonamide is CN(C)S(=O)(=O)CCNc1ncnc(N)c1Cl.
What is the InChIKey of 2-[(6-amino-5-chloropyrimidin-4-yl)amino]-N,N-dimethylethanesulfonamide?
The InChIKey is CAQIWHKNZFEAGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14ClN5O2S/c1-14(2)17(15,16)4-3-11-8-6(9)7(10)12-5-13-8/h5H,3-4H2,1-2H3,(H3,10,11,12,13).
What are the key properties of 2-[(6-amino-5-chloropyrimidin-4-yl)amino]-N,N-dimethylethanesulfonamide?
2-[(6-amino-5-chloropyrimidin-4-yl)amino]-N,N-dimethylethanesulfonamide has a molecular weight of 279.75 g/mol, XLogP of 0.02, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-amino-5-chloropyrimidin-4-yl)amino]-N,N-dimethylethanesulfonamide is sourced from PubChem (CID 114176047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).