2-methyl-4-N-(2-methylsulfonylethyl)-6-N-propylpyrimidine-4,6-diamine

C11H20N4O2S — CID 80791910

IUPAC2-methyl-4-N-(2-methylsulfonylethyl)-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1cc(NCCS(C)(=O)=O)nc(C)n1
InChIInChI=1S/C11H20N4O2S/c1-4-5-12-10-8-11(15-9(2)14-10)13-6-7-18(3,16)17/h8H,4-7H2,1-3H3,(H2,12,13,14,15)
InChIKeyISHPKGFGMYBAHF-UHFFFAOYSA-N
MW272.37 g/mol
LogP1.06
Rot. Bonds7

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

2-methyl-4-N-(2-methylsulfonylethyl)-6-N-propylpyrimidine-4,6-diamine (PubChem CID 80791910) has the molecular formula C11H20N4O2S and a molecular weight of 272.37 g/mol. Its IUPAC name is 2-methyl-4-N-(2-methylsulfonylethyl)-6-N-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-methyl-4-N-(2-methylsulfonylethyl)-6-N-propylpyrimidine-4,6-diamine
PubChem CID80791910
Molecular FormulaC11H20N4O2S
Molecular Weight272.37 g/mol
Exact Mass272.13
IUPAC Name2-methyl-4-N-(2-methylsulfonylethyl)-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1cc(NCCS(C)(=O)=O)nc(C)n1
InChIInChI=1S/C11H20N4O2S/c1-4-5-12-10-8-11(15-9(2)14-10)13-6-7-18(3,16)17/h8H,4-7H2,1-3H3,(H2,12,13,14,15)
InChIKeyISHPKGFGMYBAHF-UHFFFAOYSA-N
XLogP1.06
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-(2-methylsulfonylethyl)-6-N-propylpyrimidine-2,4,6-triamine
CID 80791556
2-[[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]ethanesulfonamide
CID 80787489
2-methyl-4-N-(2-methylsulfonylethyl)pyrimidine-4,6-diamine
CID 80791666
4-N-(2-methylsulfonylethyl)-6-N-propylpyrimidine-4,6-diamine
CID 80790691
2,5-dimethyl-4-N-(2-methylsulfonylethyl)-6-N-propylpyrimidine-4,6-diamine
CID 80791800
6-chloro-2-methyl-N-propylpyrimidin-4-amine
CID 11074100
2-[[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]ethylurea
CID 83117490
4-[[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]butanamide
CID 80790862
2-methyl-4-N-(4-methylpentyl)-6-N-propylpyrimidine-4,6-diamine
CID 80831566
2-methyl-4-N-(4-methylpiperazin-1-yl)-6-N-propylpyrimidine-4,6-diamine
CID 83027220
2-hydrazinyl-6-methyl-N-(2-methylsulfonylethyl)pyrimidin-4-amine
CID 80898571
6-(2-methylsulfonylethylsulfanyl)-4-N-propylpyrimidine-2,4-diamine
CID 80883124

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-N-(2-methylsulfonylethyl)-6-N-propylpyrimidine-4,6-diamine?
The IUPAC name of 2-methyl-4-N-(2-methylsulfonylethyl)-6-N-propylpyrimidine-4,6-diamine (CID 80791910) is 2-methyl-4-N-(2-methylsulfonylethyl)-6-N-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 2-methyl-4-N-(2-methylsulfonylethyl)-6-N-propylpyrimidine-4,6-diamine?
The canonical SMILES for 2-methyl-4-N-(2-methylsulfonylethyl)-6-N-propylpyrimidine-4,6-diamine is CCCNc1cc(NCCS(C)(=O)=O)nc(C)n1.
What is the InChIKey of 2-methyl-4-N-(2-methylsulfonylethyl)-6-N-propylpyrimidine-4,6-diamine?
The InChIKey is ISHPKGFGMYBAHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2S/c1-4-5-12-10-8-11(15-9(2)14-10)13-6-7-18(3,16)17/h8H,4-7H2,1-3H3,(H2,12,13,14,15).
What are the key properties of 2-methyl-4-N-(2-methylsulfonylethyl)-6-N-propylpyrimidine-4,6-diamine?
2-methyl-4-N-(2-methylsulfonylethyl)-6-N-propylpyrimidine-4,6-diamine has a molecular weight of 272.37 g/mol, XLogP of 1.06, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-N-(2-methylsulfonylethyl)-6-N-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80791910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).