2-[(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]-N,N-dimethylethanesulfonamide

C12H21ClN4O2S — CID 106341647

IUPAC2-[(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]-N,N-dimethylethanesulfonamide
SMILESCc1c(Cl)nc(C(C)C)nc1NCCS(=O)(=O)N(C)C
InChIInChI=1S/C12H21ClN4O2S/c1-8(2)11-15-10(13)9(3)12(16-11)14-6-7-20(18,19)17(4)5/h8H,6-7H2,1-5H3,(H,14,15,16)
InChIKeyAACFVHONJPMRLN-UHFFFAOYSA-N
MW320.85 g/mol
LogP1.87
Rot. Bonds6

About 2-[(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]-N,N-dimethylethanesulfonamide

2-[(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]-N,N-dimethylethanesulfonamide (PubChem CID 106341647) has the molecular formula C12H21ClN4O2S and a molecular weight of 320.85 g/mol. Its IUPAC name is 2-[(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]-N,N-dimethylethanesulfonamide.

Molecular Properties

Compound Name2-[(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]-N,N-dimethylethanesulfonamide
PubChem CID106341647
Molecular FormulaC12H21ClN4O2S
Molecular Weight320.85 g/mol
Exact Mass320.11
IUPAC Name2-[(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]-N,N-dimethylethanesulfonamide
SMILESCc1c(Cl)nc(C(C)C)nc1NCCS(=O)(=O)N(C)C
InChIInChI=1S/C12H21ClN4O2S/c1-8(2)11-15-10(13)9(3)12(16-11)14-6-7-20(18,19)17(4)5/h8H,6-7H2,1-5H3,(H,14,15,16)
InChIKeyAACFVHONJPMRLN-UHFFFAOYSA-N
XLogP1.87
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.85
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-5-methyl-N-(2-methylsulfonylethyl)-2-propan-2-ylpyrimidin-4-amine
CID 80971193
N-(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)-N',N'-diethylpropane-1,3-diamine
CID 80971344
4-[(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]butan-1-ol
CID 106842904
6-chloro-N-hexyl-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80978049
6-chloro-5-methyl-N-(2-methylpropyl)-2-propan-2-ylpyrimidin-4-amine
CID 80970598
6-chloro-N-(2,2-dimethylpropyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80970249
6-chloro-N-(3-ethylsulfanylpropyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 114248421
2-[(6-amino-2-propan-2-ylpyrimidin-4-yl)amino]-N,N-dimethylethanesulfonamide
CID 106343565
6-chloro-5-methyl-N-(2-methylprop-2-enyl)-2-propan-2-ylpyrimidin-4-amine
CID 106196742
6-chloro-N-[2-(cyclohexen-1-yl)ethyl]-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 106193809
3-[2-[(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]ethylsulfanyl]propan-1-ol
CID 106311301
4-[2-[(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]ethyl]phenol
CID 80979409

Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]-N,N-dimethylethanesulfonamide?
The IUPAC name of 2-[(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]-N,N-dimethylethanesulfonamide (CID 106341647) is 2-[(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]-N,N-dimethylethanesulfonamide.
What is the SMILES notation for 2-[(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]-N,N-dimethylethanesulfonamide?
The canonical SMILES for 2-[(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]-N,N-dimethylethanesulfonamide is Cc1c(Cl)nc(C(C)C)nc1NCCS(=O)(=O)N(C)C.
What is the InChIKey of 2-[(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]-N,N-dimethylethanesulfonamide?
The InChIKey is AACFVHONJPMRLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21ClN4O2S/c1-8(2)11-15-10(13)9(3)12(16-11)14-6-7-20(18,19)17(4)5/h8H,6-7H2,1-5H3,(H,14,15,16).
What are the key properties of 2-[(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]-N,N-dimethylethanesulfonamide?
2-[(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]-N,N-dimethylethanesulfonamide has a molecular weight of 320.85 g/mol, XLogP of 1.87, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]-N,N-dimethylethanesulfonamide is sourced from PubChem (CID 106341647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).