4-N-(2-methylsulfonylethyl)-6-N-propylpyrimidine-2,4,6-triamine

C10H19N5O2S — CID 80791556

IUPAC4-N-(2-methylsulfonylethyl)-6-N-propylpyrimidine-2,4,6-triamine
SMILESCCCNc1cc(NCCS(C)(=O)=O)nc(N)n1
InChIInChI=1S/C10H19N5O2S/c1-3-4-12-8-7-9(15-10(11)14-8)13-5-6-18(2,16)17/h7H,3-6H2,1-2H3,(H4,11,12,13,14,15)
InChIKeyGBMDMEXNVGIRTK-UHFFFAOYSA-N
MW273.36 g/mol
LogP0.34
Rot. Bonds7

About 4-N-(2-methylsulfonylethyl)-6-N-propylpyrimidine-2,4,6-triamine

4-N-(2-methylsulfonylethyl)-6-N-propylpyrimidine-2,4,6-triamine (PubChem CID 80791556) has the molecular formula C10H19N5O2S and a molecular weight of 273.36 g/mol. Its IUPAC name is 4-N-(2-methylsulfonylethyl)-6-N-propylpyrimidine-2,4,6-triamine.

Molecular Properties

Compound Name4-N-(2-methylsulfonylethyl)-6-N-propylpyrimidine-2,4,6-triamine
PubChem CID80791556
Molecular FormulaC10H19N5O2S
Molecular Weight273.36 g/mol
Exact Mass273.13
IUPAC Name4-N-(2-methylsulfonylethyl)-6-N-propylpyrimidine-2,4,6-triamine
SMILESCCCNc1cc(NCCS(C)(=O)=O)nc(N)n1
InChIInChI=1S/C10H19N5O2S/c1-3-4-12-8-7-9(15-10(11)14-8)13-5-6-18(2,16)17/h7H,3-6H2,1-2H3,(H4,11,12,13,14,15)
InChIKeyGBMDMEXNVGIRTK-UHFFFAOYSA-N
XLogP0.34
TPSA110.00 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 50.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

2-methyl-4-N-(2-methylsulfonylethyl)-6-N-propylpyrimidine-4,6-diamine
CID 80791910
4-N-(2-methylsulfonylethyl)-6-N-propylpyrimidine-4,6-diamine
CID 80790691
6-(2-methylsulfonylethylsulfanyl)-4-N-propylpyrimidine-2,4-diamine
CID 80883124
6-N-methyl-4-N-propylpyrimidine-2,4,6-triamine
CID 80766256
2-[[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]ethanesulfonamide
CID 80787489
4-N-(3-methylsulfonylpropyl)pyrimidine-2,4,6-triamine
CID 80812862
2-[[2-amino-6-(ethylamino)pyrimidin-4-yl]amino]-N,N-dimethylethanesulfonamide
CID 106343596
ethyl 2-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]acetate
CID 80789524
2-methyl-4-N-(2-methylsulfonylethyl)pyrimidine-4,6-diamine
CID 80791666
3-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]-N-propylpropanamide
CID 80819032
5-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]pentanamide
CID 106241607
4-N-(2-methylbutyl)-6-N-propylpyrimidine-2,4,6-triamine
CID 80832143

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-methylsulfonylethyl)-6-N-propylpyrimidine-2,4,6-triamine?
The IUPAC name of 4-N-(2-methylsulfonylethyl)-6-N-propylpyrimidine-2,4,6-triamine (CID 80791556) is 4-N-(2-methylsulfonylethyl)-6-N-propylpyrimidine-2,4,6-triamine.
What is the SMILES notation for 4-N-(2-methylsulfonylethyl)-6-N-propylpyrimidine-2,4,6-triamine?
The canonical SMILES for 4-N-(2-methylsulfonylethyl)-6-N-propylpyrimidine-2,4,6-triamine is CCCNc1cc(NCCS(C)(=O)=O)nc(N)n1.
What is the InChIKey of 4-N-(2-methylsulfonylethyl)-6-N-propylpyrimidine-2,4,6-triamine?
The InChIKey is GBMDMEXNVGIRTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5O2S/c1-3-4-12-8-7-9(15-10(11)14-8)13-5-6-18(2,16)17/h7H,3-6H2,1-2H3,(H4,11,12,13,14,15).
What are the key properties of 4-N-(2-methylsulfonylethyl)-6-N-propylpyrimidine-2,4,6-triamine?
4-N-(2-methylsulfonylethyl)-6-N-propylpyrimidine-2,4,6-triamine has a molecular weight of 273.36 g/mol, XLogP of 0.34, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-methylsulfonylethyl)-6-N-propylpyrimidine-2,4,6-triamine is sourced from PubChem (CID 80791556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).