2,5-dimethyl-4-N-(2-methylsulfonylethyl)-6-N-propylpyrimidine-4,6-diamine

C12H22N4O2S — CID 80791800

IUPAC2,5-dimethyl-4-N-(2-methylsulfonylethyl)-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1nc(C)nc(NCCS(C)(=O)=O)c1C
InChIInChI=1S/C12H22N4O2S/c1-5-6-13-11-9(2)12(16-10(3)15-11)14-7-8-19(4,17)18/h5-8H2,1-4H3,(H2,13,14,15,16)
InChIKeyJMVJNDGPZODBSM-UHFFFAOYSA-N
MW286.40 g/mol
LogP1.37
Rot. Bonds7

About 2,5-dimethyl-4-N-(2-methylsulfonylethyl)-6-N-propylpyrimidine-4,6-diamine

2,5-dimethyl-4-N-(2-methylsulfonylethyl)-6-N-propylpyrimidine-4,6-diamine (PubChem CID 80791800) has the molecular formula C12H22N4O2S and a molecular weight of 286.40 g/mol. Its IUPAC name is 2,5-dimethyl-4-N-(2-methylsulfonylethyl)-6-N-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name2,5-dimethyl-4-N-(2-methylsulfonylethyl)-6-N-propylpyrimidine-4,6-diamine
PubChem CID80791800
Molecular FormulaC12H22N4O2S
Molecular Weight286.40 g/mol
Exact Mass286.15
IUPAC Name2,5-dimethyl-4-N-(2-methylsulfonylethyl)-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1nc(C)nc(NCCS(C)(=O)=O)c1C
InChIInChI=1S/C12H22N4O2S/c1-5-6-13-11-9(2)12(16-10(3)15-11)14-7-8-19(4,17)18/h5-8H2,1-4H3,(H2,13,14,15,16)
InChIKeyJMVJNDGPZODBSM-UHFFFAOYSA-N
XLogP1.37
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-N-ethyl-5-methyl-4-N-(2-methylsulfonylethyl)-2-propylpyrimidine-4,6-diamine
CID 80987408
2-methyl-4-N-(2-methylsulfonylethyl)-6-N-propylpyrimidine-4,6-diamine
CID 80791910
N-(2-ethylsulfonylethyl)-2,5,6-trimethylpyrimidin-4-amine
CID 72939636
6-(2,2-dimethylhydrazinyl)-2,5-dimethyl-N-propylpyrimidin-4-amine
CID 83025046
2,5-dimethyl-4-N-(3-methylbutyl)-6-N-propylpyrimidine-4,6-diamine
CID 80784732
2,5-dimethyl-4-N-(2-methylpropyl)-6-N-propylpyrimidine-4,6-diamine
CID 80769669
2-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]ethanesulfonamide
CID 80787729
2,5-dimethyl-6-N-propyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-4,6-diamine
CID 80828474
5-bromo-4-N-(2-methylsulfonylethyl)-6-N-propylpyrimidine-4,6-diamine
CID 114072014
4-N-butan-2-yl-2,5-dimethyl-6-N-propylpyrimidine-4,6-diamine
CID 80766465
4-N,4-N,2,5-tetramethyl-6-N-propylpyrimidine-4,6-diamine
CID 80766122
2,5-dimethyl-4-N-(4-methylpiperazin-1-yl)-6-N-propylpyrimidine-4,6-diamine
CID 83027383

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-4-N-(2-methylsulfonylethyl)-6-N-propylpyrimidine-4,6-diamine?
The IUPAC name of 2,5-dimethyl-4-N-(2-methylsulfonylethyl)-6-N-propylpyrimidine-4,6-diamine (CID 80791800) is 2,5-dimethyl-4-N-(2-methylsulfonylethyl)-6-N-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 2,5-dimethyl-4-N-(2-methylsulfonylethyl)-6-N-propylpyrimidine-4,6-diamine?
The canonical SMILES for 2,5-dimethyl-4-N-(2-methylsulfonylethyl)-6-N-propylpyrimidine-4,6-diamine is CCCNc1nc(C)nc(NCCS(C)(=O)=O)c1C.
What is the InChIKey of 2,5-dimethyl-4-N-(2-methylsulfonylethyl)-6-N-propylpyrimidine-4,6-diamine?
The InChIKey is JMVJNDGPZODBSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2S/c1-5-6-13-11-9(2)12(16-10(3)15-11)14-7-8-19(4,17)18/h5-8H2,1-4H3,(H2,13,14,15,16).
What are the key properties of 2,5-dimethyl-4-N-(2-methylsulfonylethyl)-6-N-propylpyrimidine-4,6-diamine?
2,5-dimethyl-4-N-(2-methylsulfonylethyl)-6-N-propylpyrimidine-4,6-diamine has a molecular weight of 286.40 g/mol, XLogP of 1.37, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-4-N-(2-methylsulfonylethyl)-6-N-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80791800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).