5-ethyl-6-(2-methylsulfonylethylsulfanyl)-N-propylpyrimidin-4-amine

C12H21N3O2S2 — CID 80883437

IUPAC5-ethyl-6-(2-methylsulfonylethylsulfanyl)-N-propylpyrimidin-4-amine
SMILESCCCNc1ncnc(SCCS(C)(=O)=O)c1CC
InChIInChI=1S/C12H21N3O2S2/c1-4-6-13-11-10(5-2)12(15-9-14-11)18-7-8-19(3,16)17/h9H,4-8H2,1-3H3,(H,13,14,15)
InChIKeyXHRCWXCVXWMGAB-UHFFFAOYSA-N
MW303.45 g/mol
LogP2.00
Rot. Bonds8

About 5-ethyl-6-(2-methylsulfonylethylsulfanyl)-N-propylpyrimidin-4-amine

5-ethyl-6-(2-methylsulfonylethylsulfanyl)-N-propylpyrimidin-4-amine (PubChem CID 80883437) has the molecular formula C12H21N3O2S2 and a molecular weight of 303.45 g/mol. Its IUPAC name is 5-ethyl-6-(2-methylsulfonylethylsulfanyl)-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name5-ethyl-6-(2-methylsulfonylethylsulfanyl)-N-propylpyrimidin-4-amine
PubChem CID80883437
Molecular FormulaC12H21N3O2S2
Molecular Weight303.45 g/mol
Exact Mass303.11
IUPAC Name5-ethyl-6-(2-methylsulfonylethylsulfanyl)-N-propylpyrimidin-4-amine
SMILESCCCNc1ncnc(SCCS(C)(=O)=O)c1CC
InChIInChI=1S/C12H21N3O2S2/c1-4-6-13-11-10(5-2)12(15-9-14-11)18-7-8-19(3,16)17/h9H,4-8H2,1-3H3,(H,13,14,15)
InChIKeyXHRCWXCVXWMGAB-UHFFFAOYSA-N
XLogP2.00
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-ethyl-6-(2-methylsulfonylethylsulfanyl)-N-propylpyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(2-methylsulfonylethylsulfanyl)-5-propan-2-yl-N-propylpyrimidin-4-amine
CID 80883829
5-ethyl-6-pentylsulfanyl-N-propylpyrimidin-4-amine
CID 107765373
5-bromo-4-N-(2-methylsulfonylethyl)-6-N-propylpyrimidine-4,6-diamine
CID 114072014
(5-ethyl-6-pentylsulfanylpyrimidin-4-yl)hydrazine
CID 107766209
4-N-(2-methylsulfonylethyl)-5-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80790474
6-[2-(dimethylamino)ethylsulfanyl]-N,5-dipropylpyrimidin-4-amine
CID 80895521
5-chloro-4-(2-methylsulfonylethylsulfanyl)-N-propylpyrimidin-2-amine
CID 80883328
4-N-(2,2-dimethylpropyl)-5-ethyl-6-N-propylpyrimidine-4,6-diamine
CID 80797563
5-methyl-6-pentylsulfanyl-N-propylpyrimidin-4-amine
CID 107765253
2-[5-ethyl-6-(methylamino)pyrimidin-4-yl]sulfanylethanol
CID 80884568
5-ethyl-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-propylpyrimidin-4-amine
CID 104604989
6-ethylsulfanyl-5-methyl-N-propylpyrimidin-4-amine
CID 80887936

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-6-(2-methylsulfonylethylsulfanyl)-N-propylpyrimidin-4-amine?
The IUPAC name of 5-ethyl-6-(2-methylsulfonylethylsulfanyl)-N-propylpyrimidin-4-amine (CID 80883437) is 5-ethyl-6-(2-methylsulfonylethylsulfanyl)-N-propylpyrimidin-4-amine.
What is the SMILES notation for 5-ethyl-6-(2-methylsulfonylethylsulfanyl)-N-propylpyrimidin-4-amine?
The canonical SMILES for 5-ethyl-6-(2-methylsulfonylethylsulfanyl)-N-propylpyrimidin-4-amine is CCCNc1ncnc(SCCS(C)(=O)=O)c1CC.
What is the InChIKey of 5-ethyl-6-(2-methylsulfonylethylsulfanyl)-N-propylpyrimidin-4-amine?
The InChIKey is XHRCWXCVXWMGAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2S2/c1-4-6-13-11-10(5-2)12(15-9-14-11)18-7-8-19(3,16)17/h9H,4-8H2,1-3H3,(H,13,14,15).
What are the key properties of 5-ethyl-6-(2-methylsulfonylethylsulfanyl)-N-propylpyrimidin-4-amine?
5-ethyl-6-(2-methylsulfonylethylsulfanyl)-N-propylpyrimidin-4-amine has a molecular weight of 303.45 g/mol, XLogP of 2.00, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-6-(2-methylsulfonylethylsulfanyl)-N-propylpyrimidin-4-amine is sourced from PubChem (CID 80883437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).