2-[(2-chloro-6-methylpyrimidin-4-yl)amino]-N-methylethanesulfonamide

C8H13ClN4O2S — CID 106341549

IUPAC2-[(2-chloro-6-methylpyrimidin-4-yl)amino]-N-methylethanesulfonamide
SMILESCNS(=O)(=O)CCNc1cc(C)nc(Cl)n1
InChIInChI=1S/C8H13ClN4O2S/c1-6-5-7(13-8(9)12-6)11-3-4-16(14,15)10-2/h5,10H,3-4H2,1-2H3,(H,11,12,13)
InChIKeySQISVJBDVHPBKJ-UHFFFAOYSA-N
MW264.74 g/mol
LogP0.40
Rot. Bonds5

About 2-[(2-chloro-6-methylpyrimidin-4-yl)amino]-N-methylethanesulfonamide

2-[(2-chloro-6-methylpyrimidin-4-yl)amino]-N-methylethanesulfonamide (PubChem CID 106341549) has the molecular formula C8H13ClN4O2S and a molecular weight of 264.74 g/mol. Its IUPAC name is 2-[(2-chloro-6-methylpyrimidin-4-yl)amino]-N-methylethanesulfonamide.

Molecular Properties

Compound Name2-[(2-chloro-6-methylpyrimidin-4-yl)amino]-N-methylethanesulfonamide
PubChem CID106341549
Molecular FormulaC8H13ClN4O2S
Molecular Weight264.74 g/mol
Exact Mass264.04
IUPAC Name2-[(2-chloro-6-methylpyrimidin-4-yl)amino]-N-methylethanesulfonamide
SMILESCNS(=O)(=O)CCNc1cc(C)nc(Cl)n1
InChIInChI=1S/C8H13ClN4O2S/c1-6-5-7(13-8(9)12-6)11-3-4-16(14,15)10-2/h5,10H,3-4H2,1-2H3,(H,11,12,13)
InChIKeySQISVJBDVHPBKJ-UHFFFAOYSA-N
XLogP0.40
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.74
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-ethyl-6-methylpyrimidin-4-amine
CID 312603
6-methyl-2-N,4-N-di(propan-2-yl)pyrimidine-2,4-diamine
CID 46225978
2-chloro-6-methyl-N-propylpyrimidin-4-amine
CID 11137831
2-Amino-4-n-butylamino-6-methylpyrimidine
CID 57279993
N'-(2-chloro-6-methylpyrimidin-4-yl)ethane-1,2-diamine
CID 57839960
N-(2-chloro-6-methylpyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine
CID 62476258
N-[1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]methanesulfonamide
CID 40104034
N-butan-2-yl-2-chloro-6-methylpyrimidin-4-amine
CID 62477958
N-((4-methyl-6-(pyrrolidin-1-yl)pyrimidin-2-yl)methyl)ethanesulfonamide
CID 71807407
N-((4-methyl-6-(pyrrolidin-1-yl)pyrimidin-2-yl)methyl)propane-1-sulfonamide
CID 71807408
N-((4-methyl-6-(piperidin-1-yl)pyrimidin-2-yl)methyl)ethanesulfonamide
CID 71807438
N-ethyl-6-methyl-2-(4-(propylsulfonyl)piperazin-1-yl)pyrimidin-4-amine
CID 31481356

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-6-methylpyrimidin-4-yl)amino]-N-methylethanesulfonamide?
The IUPAC name of 2-[(2-chloro-6-methylpyrimidin-4-yl)amino]-N-methylethanesulfonamide (CID 106341549) is 2-[(2-chloro-6-methylpyrimidin-4-yl)amino]-N-methylethanesulfonamide.
What is the SMILES notation for 2-[(2-chloro-6-methylpyrimidin-4-yl)amino]-N-methylethanesulfonamide?
The canonical SMILES for 2-[(2-chloro-6-methylpyrimidin-4-yl)amino]-N-methylethanesulfonamide is CNS(=O)(=O)CCNc1cc(C)nc(Cl)n1.
What is the InChIKey of 2-[(2-chloro-6-methylpyrimidin-4-yl)amino]-N-methylethanesulfonamide?
The InChIKey is SQISVJBDVHPBKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13ClN4O2S/c1-6-5-7(13-8(9)12-6)11-3-4-16(14,15)10-2/h5,10H,3-4H2,1-2H3,(H,11,12,13).
What are the key properties of 2-[(2-chloro-6-methylpyrimidin-4-yl)amino]-N-methylethanesulfonamide?
2-[(2-chloro-6-methylpyrimidin-4-yl)amino]-N-methylethanesulfonamide has a molecular weight of 264.74 g/mol, XLogP of 0.40, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-6-methylpyrimidin-4-yl)amino]-N-methylethanesulfonamide is sourced from PubChem (CID 106341549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).