N-[1-[(4,6-dimethylpyrimidin-2-yl)amino]-2-methylpropan-2-yl]methanesulfonamide

C11H20N4O2S — CID 63859356

IUPACN-[1-[(4,6-dimethylpyrimidin-2-yl)amino]-2-methylpropan-2-yl]methanesulfonamide
SMILESCc1cc(C)nc(NCC(C)(C)NS(C)(=O)=O)n1
InChIInChI=1S/C11H20N4O2S/c1-8-6-9(2)14-10(13-8)12-7-11(3,4)15-18(5,16)17/h6,15H,7H2,1-5H3,(H,12,13,14)
InChIKeyIPFFBOULFBTZAU-UHFFFAOYSA-N
MW272.37 g/mol
LogP0.83
Rot. Bonds5

About N-[1-[(4,6-dimethylpyrimidin-2-yl)amino]-2-methylpropan-2-yl]methanesulfonamide

N-[1-[(4,6-dimethylpyrimidin-2-yl)amino]-2-methylpropan-2-yl]methanesulfonamide (PubChem CID 63859356) has the molecular formula C11H20N4O2S and a molecular weight of 272.37 g/mol. Its IUPAC name is N-[1-[(4,6-dimethylpyrimidin-2-yl)amino]-2-methylpropan-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-[(4,6-dimethylpyrimidin-2-yl)amino]-2-methylpropan-2-yl]methanesulfonamide
PubChem CID63859356
Molecular FormulaC11H20N4O2S
Molecular Weight272.37 g/mol
Exact Mass272.13
IUPAC NameN-[1-[(4,6-dimethylpyrimidin-2-yl)amino]-2-methylpropan-2-yl]methanesulfonamide
SMILESCc1cc(C)nc(NCC(C)(C)NS(C)(=O)=O)n1
InChIInChI=1S/C11H20N4O2S/c1-8-6-9(2)14-10(13-8)12-7-11(3,4)15-18(5,16)17/h6,15H,7H2,1-5H3,(H,12,13,14)
InChIKeyIPFFBOULFBTZAU-UHFFFAOYSA-N
XLogP0.83
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-2-methylpropan-2-yl]methanesulfonamide
CID 80838189
N-(4,6-dimethylpyrimidin-2-yl)methanesulfonamide
CID 5157234
4-ethoxy-6-methyl-N-(2-methyl-2-methylsulfonylpropyl)pyrimidin-2-amine
CID 112638194
N-[1-(5-amino-2-methylanilino)-2-methylpropan-2-yl]methanesulfonamide
CID 55256567
N-[1-[(6-aminopyrazin-2-yl)amino]-2-methylpropan-2-yl]methanesulfonamide
CID 78953806
N-[1-[(2,5-dichloropyrimidin-4-yl)amino]-2-methylpropan-2-yl]methanesulfonamide
CID 79633335
N-[2-methyl-1-(pyridazin-3-ylamino)propan-2-yl]methanesulfonamide
CID 63860050
N-[2-methyl-1-[(5-methyl-4-nitro-2-pyridinyl)amino]propan-2-yl]methanesulfonamide
CID 83269054
N-[1-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]-2-methylpropan-2-yl]methanesulfonamide
CID 80944898
N-[2-methyl-1-[1-(4-methylphenyl)ethylamino]propan-2-yl]methanesulfonamide
CID 63859656
N-[1-[(6-chloro-4,5-dimethylpyridazin-3-yl)amino]-2-methylpropan-2-yl]methanesulfonamide
CID 63860840
2-cyclopropyl-1-[(4,6-dimethylpyrimidin-2-yl)amino]propan-2-ol
CID 138041041

Frequently Asked Questions

What is the IUPAC name of N-[1-[(4,6-dimethylpyrimidin-2-yl)amino]-2-methylpropan-2-yl]methanesulfonamide?
The IUPAC name of N-[1-[(4,6-dimethylpyrimidin-2-yl)amino]-2-methylpropan-2-yl]methanesulfonamide (CID 63859356) is N-[1-[(4,6-dimethylpyrimidin-2-yl)amino]-2-methylpropan-2-yl]methanesulfonamide.
What is the SMILES notation for N-[1-[(4,6-dimethylpyrimidin-2-yl)amino]-2-methylpropan-2-yl]methanesulfonamide?
The canonical SMILES for N-[1-[(4,6-dimethylpyrimidin-2-yl)amino]-2-methylpropan-2-yl]methanesulfonamide is Cc1cc(C)nc(NCC(C)(C)NS(C)(=O)=O)n1.
What is the InChIKey of N-[1-[(4,6-dimethylpyrimidin-2-yl)amino]-2-methylpropan-2-yl]methanesulfonamide?
The InChIKey is IPFFBOULFBTZAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2S/c1-8-6-9(2)14-10(13-8)12-7-11(3,4)15-18(5,16)17/h6,15H,7H2,1-5H3,(H,12,13,14).
What are the key properties of N-[1-[(4,6-dimethylpyrimidin-2-yl)amino]-2-methylpropan-2-yl]methanesulfonamide?
N-[1-[(4,6-dimethylpyrimidin-2-yl)amino]-2-methylpropan-2-yl]methanesulfonamide has a molecular weight of 272.37 g/mol, XLogP of 0.83, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4,6-dimethylpyrimidin-2-yl)amino]-2-methylpropan-2-yl]methanesulfonamide is sourced from PubChem (CID 63859356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).