2-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]-N-methylethanesulfonamide

C11H21N5O2S — CID 106343135

IUPAC2-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]-N-methylethanesulfonamide
SMILESCNS(=O)(=O)CCNc1nc(C(C)C)nc(N)c1C
InChIInChI=1S/C11H21N5O2S/c1-7(2)10-15-9(12)8(3)11(16-10)14-5-6-19(17,18)13-4/h7,13H,5-6H2,1-4H3,(H3,12,14,15,16)
InChIKeyBFZBRZOVDMHQOY-UHFFFAOYSA-N
MW287.39 g/mol
LogP0.45
Rot. Bonds6

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

2-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]-N-methylethanesulfonamide (PubChem CID 106343135) has the molecular formula C11H21N5O2S and a molecular weight of 287.39 g/mol. Its IUPAC name is 2-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]-N-methylethanesulfonamide.

Molecular Properties

Compound Name2-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]-N-methylethanesulfonamide
PubChem CID106343135
Molecular FormulaC11H21N5O2S
Molecular Weight287.39 g/mol
Exact Mass287.14
IUPAC Name2-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]-N-methylethanesulfonamide
SMILESCNS(=O)(=O)CCNc1nc(C(C)C)nc(N)c1C
InChIInChI=1S/C11H21N5O2S/c1-7(2)10-15-9(12)8(3)11(16-10)14-5-6-19(17,18)13-4/h7,13H,5-6H2,1-4H3,(H3,12,14,15,16)
InChIKeyBFZBRZOVDMHQOY-UHFFFAOYSA-N
XLogP0.45
TPSA110.00 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 50.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]-N-methylpropanamide
CID 80983114
4-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]butan-2-ol
CID 80991783
4-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]butanamide
CID 80993947
5-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]pentan-2-ol
CID 114148682
4-N-(2-ethoxyethyl)-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80994078
6-chloro-5-methyl-N-(2-methylsulfonylethyl)-2-propan-2-ylpyrimidin-4-amine
CID 80971193
5-methyl-2-propan-2-yl-4-N-(2-pyrrolidin-1-ylethyl)pyrimidine-4,6-diamine
CID 80982944
ethyl 4-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]butanoate
CID 80984350
2-[(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]-N-methylethanesulfonamide
CID 106341033
4-N-tert-butyl-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80976699
2-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]ethanesulfonamide
CID 80787729
5-methyl-4-N-(2-phenoxyethyl)-2-propan-2-ylpyrimidine-4,6-diamine
CID 80983631

Frequently Asked Questions

What is the IUPAC name of 2-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]-N-methylethanesulfonamide?
The IUPAC name of 2-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]-N-methylethanesulfonamide (CID 106343135) is 2-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]-N-methylethanesulfonamide.
What is the SMILES notation for 2-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]-N-methylethanesulfonamide?
The canonical SMILES for 2-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]-N-methylethanesulfonamide is CNS(=O)(=O)CCNc1nc(C(C)C)nc(N)c1C.
What is the InChIKey of 2-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]-N-methylethanesulfonamide?
The InChIKey is BFZBRZOVDMHQOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O2S/c1-7(2)10-15-9(12)8(3)11(16-10)14-5-6-19(17,18)13-4/h7,13H,5-6H2,1-4H3,(H3,12,14,15,16).
What are the key properties of 2-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]-N-methylethanesulfonamide?
2-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]-N-methylethanesulfonamide has a molecular weight of 287.39 g/mol, XLogP of 0.45, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]-N-methylethanesulfonamide is sourced from PubChem (CID 106343135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).