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

C12H23N5O2S — CID 106343532

IUPAC2-[(6-amino-5-methyl-2-propylpyrimidin-4-yl)amino]-N,N-dimethylethanesulfonamide
SMILESCCCc1nc(N)c(C)c(NCCS(=O)(=O)N(C)C)n1
InChIInChI=1S/C12H23N5O2S/c1-5-6-10-15-11(13)9(2)12(16-10)14-7-8-20(18,19)17(3)4/h5-8H2,1-4H3,(H3,13,14,15,16)
InChIKeyIYJJUKZAXKGLIM-UHFFFAOYSA-N
MW301.42 g/mol
LogP0.62
Rot. Bonds7

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

2-[(6-amino-5-methyl-2-propylpyrimidin-4-yl)amino]-N,N-dimethylethanesulfonamide (PubChem CID 106343532) has the molecular formula C12H23N5O2S and a molecular weight of 301.42 g/mol. Its IUPAC name is 2-[(6-amino-5-methyl-2-propylpyrimidin-4-yl)amino]-N,N-dimethylethanesulfonamide.

Molecular Properties

Compound Name2-[(6-amino-5-methyl-2-propylpyrimidin-4-yl)amino]-N,N-dimethylethanesulfonamide
PubChem CID106343532
Molecular FormulaC12H23N5O2S
Molecular Weight301.42 g/mol
Exact Mass301.16
IUPAC Name2-[(6-amino-5-methyl-2-propylpyrimidin-4-yl)amino]-N,N-dimethylethanesulfonamide
SMILESCCCc1nc(N)c(C)c(NCCS(=O)(=O)N(C)C)n1
InChIInChI=1S/C12H23N5O2S/c1-5-6-10-15-11(13)9(2)12(16-10)14-7-8-20(18,19)17(3)4/h5-8H2,1-4H3,(H3,13,14,15,16)
InChIKeyIYJJUKZAXKGLIM-UHFFFAOYSA-N
XLogP0.62
TPSA101.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.42
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[(6-amino-5-methyl-2-propylpyrimidin-4-yl)amino]ethyl]methanesulfonamide
CID 80993418
5-methyl-4-N-[2-[methyl(propan-2-yl)amino]ethyl]-2-propylpyrimidine-4,6-diamine
CID 80983070
3-[2-[(6-amino-5-methyl-2-propylpyrimidin-4-yl)amino]ethyl]-1,1-dimethylurea
CID 83117399
6-N-ethyl-5-methyl-4-N-(2-methylsulfonylethyl)-2-propylpyrimidine-4,6-diamine
CID 80987408
5-methyl-4-N-(3-methylbutyl)-2-propylpyrimidine-4,6-diamine
CID 80981770
4-[(6-amino-5-methyl-2-propylpyrimidin-4-yl)amino]butanamide
CID 80994095
5-methyl-2-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
CID 80981416
2-[(6-amino-5-methyl-2-propylpyrimidin-4-yl)amino]-N-methylacetamide
CID 80993296
5-methyl-4-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-2-propylpyrimidine-4,6-diamine
CID 80991865
5-[(6-amino-5-methyl-2-propylpyrimidin-4-yl)amino]-2-methylpentan-1-ol
CID 106163224
2-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]ethanesulfonamide
CID 80787729
N-ethyl-2-[[5-methyl-6-(methylamino)-2-propylpyrimidin-4-yl]amino]ethanesulfonamide
CID 106343430

Frequently Asked Questions

What is the IUPAC name of 2-[(6-amino-5-methyl-2-propylpyrimidin-4-yl)amino]-N,N-dimethylethanesulfonamide?
The IUPAC name of 2-[(6-amino-5-methyl-2-propylpyrimidin-4-yl)amino]-N,N-dimethylethanesulfonamide (CID 106343532) is 2-[(6-amino-5-methyl-2-propylpyrimidin-4-yl)amino]-N,N-dimethylethanesulfonamide.
What is the SMILES notation for 2-[(6-amino-5-methyl-2-propylpyrimidin-4-yl)amino]-N,N-dimethylethanesulfonamide?
The canonical SMILES for 2-[(6-amino-5-methyl-2-propylpyrimidin-4-yl)amino]-N,N-dimethylethanesulfonamide is CCCc1nc(N)c(C)c(NCCS(=O)(=O)N(C)C)n1.
What is the InChIKey of 2-[(6-amino-5-methyl-2-propylpyrimidin-4-yl)amino]-N,N-dimethylethanesulfonamide?
The InChIKey is IYJJUKZAXKGLIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5O2S/c1-5-6-10-15-11(13)9(2)12(16-10)14-7-8-20(18,19)17(3)4/h5-8H2,1-4H3,(H3,13,14,15,16).
What are the key properties of 2-[(6-amino-5-methyl-2-propylpyrimidin-4-yl)amino]-N,N-dimethylethanesulfonamide?
2-[(6-amino-5-methyl-2-propylpyrimidin-4-yl)amino]-N,N-dimethylethanesulfonamide has a molecular weight of 301.42 g/mol, XLogP of 0.62, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-amino-5-methyl-2-propylpyrimidin-4-yl)amino]-N,N-dimethylethanesulfonamide is sourced from PubChem (CID 106343532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).