6-ethyl-2-(methylsulfonylmethyl)-N-propylpyrimidin-4-amine

C11H19N3O2S — CID 62474013

IUPAC6-ethyl-2-(methylsulfonylmethyl)-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(CC)nc(CS(C)(=O)=O)n1
InChIInChI=1S/C11H19N3O2S/c1-4-6-12-10-7-9(5-2)13-11(14-10)8-17(3,15)16/h7H,4-6,8H2,1-3H3,(H,12,13,14)
InChIKeyPQRFLLMZVJPMNB-UHFFFAOYSA-N
MW257.36 g/mol
LogP1.41
Rot. Bonds6

About 6-ethyl-2-(methylsulfonylmethyl)-N-propylpyrimidin-4-amine

6-ethyl-2-(methylsulfonylmethyl)-N-propylpyrimidin-4-amine (PubChem CID 62474013) has the molecular formula C11H19N3O2S and a molecular weight of 257.36 g/mol. Its IUPAC name is 6-ethyl-2-(methylsulfonylmethyl)-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-ethyl-2-(methylsulfonylmethyl)-N-propylpyrimidin-4-amine
PubChem CID62474013
Molecular FormulaC11H19N3O2S
Molecular Weight257.36 g/mol
Exact Mass257.12
IUPAC Name6-ethyl-2-(methylsulfonylmethyl)-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(CC)nc(CS(C)(=O)=O)n1
InChIInChI=1S/C11H19N3O2S/c1-4-6-12-10-7-9(5-2)13-11(14-10)8-17(3,15)16/h7H,4-6,8H2,1-3H3,(H,12,13,14)
InChIKeyPQRFLLMZVJPMNB-UHFFFAOYSA-N
XLogP1.41
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-butyl-6-ethyl-N-propylpyrimidin-4-amine
CID 79413331
2-[(3,5-dimethylphenyl)methyl]-6-ethyl-N-propylpyrimidin-4-amine
CID 63484694
4-N-(2-methylsulfonylethyl)-6-N-propylpyrimidine-2,4,6-triamine
CID 80791556
2-methyl-4-N-(2-methylsulfonylethyl)-6-N-propylpyrimidine-4,6-diamine
CID 80791910
4-[(tert-butylamino)methyl]-6-ethyl-N-propylpyridin-2-amine
CID 113381462
6-ethyl-2-phenyl-N-propylpyrimidin-4-amine
CID 62192699
2-ethyl-4-N-methyl-4-N-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80933924
N,2-diethyl-6-(propylamino)pyridine-4-carboxamide
CID 113380952
6-tert-butyl-2-(1-methylsulfonylethyl)-N-propylpyrimidin-4-amine
CID 116633181
2-ethyl-4-N-(3-methylsulfonylpropyl)pyrimidine-4,6-diamine
CID 80934736
2-ethyl-4-N-(4-methylpentyl)-6-N-propylpyrimidine-4,6-diamine
CID 80935431
N-methyl-2-(methylsulfonylmethyl)-6-propan-2-ylpyrimidin-4-amine
CID 62474014

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2-(methylsulfonylmethyl)-N-propylpyrimidin-4-amine?
The IUPAC name of 6-ethyl-2-(methylsulfonylmethyl)-N-propylpyrimidin-4-amine (CID 62474013) is 6-ethyl-2-(methylsulfonylmethyl)-N-propylpyrimidin-4-amine.
What is the SMILES notation for 6-ethyl-2-(methylsulfonylmethyl)-N-propylpyrimidin-4-amine?
The canonical SMILES for 6-ethyl-2-(methylsulfonylmethyl)-N-propylpyrimidin-4-amine is CCCNc1cc(CC)nc(CS(C)(=O)=O)n1.
What is the InChIKey of 6-ethyl-2-(methylsulfonylmethyl)-N-propylpyrimidin-4-amine?
The InChIKey is PQRFLLMZVJPMNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2S/c1-4-6-12-10-7-9(5-2)13-11(14-10)8-17(3,15)16/h7H,4-6,8H2,1-3H3,(H,12,13,14).
What are the key properties of 6-ethyl-2-(methylsulfonylmethyl)-N-propylpyrimidin-4-amine?
6-ethyl-2-(methylsulfonylmethyl)-N-propylpyrimidin-4-amine has a molecular weight of 257.36 g/mol, XLogP of 1.41, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2-(methylsulfonylmethyl)-N-propylpyrimidin-4-amine is sourced from PubChem (CID 62474013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).