5-bromo-2-(1-methylsulfonylethyl)-N,6-dipropylpyrimidin-4-amine

C13H22BrN3O2S — CID 116633228

IUPAC5-bromo-2-(1-methylsulfonylethyl)-N,6-dipropylpyrimidin-4-amine
SMILESCCCNc1nc(C(C)S(C)(=O)=O)nc(CCC)c1Br
InChIInChI=1S/C13H22BrN3O2S/c1-5-7-10-11(14)13(15-8-6-2)17-12(16-10)9(3)20(4,18)19/h9H,5-8H2,1-4H3,(H,15,16,17)
InChIKeyGYOATYSJUOZRED-UHFFFAOYSA-N
MW364.31 g/mol
LogP3.12
Rot. Bonds7

About 5-bromo-2-(1-methylsulfonylethyl)-N,6-dipropylpyrimidin-4-amine

5-bromo-2-(1-methylsulfonylethyl)-N,6-dipropylpyrimidin-4-amine (PubChem CID 116633228) has the molecular formula C13H22BrN3O2S and a molecular weight of 364.31 g/mol. Its IUPAC name is 5-bromo-2-(1-methylsulfonylethyl)-N,6-dipropylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-(1-methylsulfonylethyl)-N,6-dipropylpyrimidin-4-amine
PubChem CID116633228
Molecular FormulaC13H22BrN3O2S
Molecular Weight364.31 g/mol
Exact Mass363.06
IUPAC Name5-bromo-2-(1-methylsulfonylethyl)-N,6-dipropylpyrimidin-4-amine
SMILESCCCNc1nc(C(C)S(C)(=O)=O)nc(CCC)c1Br
InChIInChI=1S/C13H22BrN3O2S/c1-5-7-10-11(14)13(15-8-6-2)17-12(16-10)9(3)20(4,18)19/h9H,5-8H2,1-4H3,(H,15,16,17)
InChIKeyGYOATYSJUOZRED-UHFFFAOYSA-N
XLogP3.12
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.31
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-5-iodo-2-(1-methylsulfonylethyl)-6-propylpyrimidin-4-amine
CID 116633231
5-iodo-6-(2-methylpropyl)-2-(1-methylsulfonylethyl)-N-propylpyrimidin-4-amine
CID 116633286
2-(1-methylsulfonylethyl)-N-propyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472555
5-bromo-N-methyl-2-pentan-3-yl-6-propylpyrimidin-4-amine
CID 66296714
5,6-dimethyl-2-(1-methylsulfonylethyl)-N-propylthieno[2,3-d]pyrimidin-4-amine
CID 116633152
5-bromo-2-(1-methoxypropan-2-yl)-6-(2-methylpropyl)-N-propylpyrimidin-4-amine
CID 116503066
6-ethyl-2-(1-methylsulfonylethyl)-N-propylthieno[2,3-d]pyrimidin-4-amine
CID 116633155
5-bromo-2-(1-methoxy-2-methylpropyl)-6-(2-methylpropyl)-N-propylpyrimidin-4-amine
CID 116730006
5-bromo-N,6-dipropyl-2-(propylsulfanylmethyl)pyrimidin-4-amine
CID 66305569
5-bromo-2-[cyclopropyl(methoxy)methyl]-6-(2-methylpropyl)-N-propylpyrimidin-4-amine
CID 116730005
5-bromo-2-(3-bromothiophen-2-yl)-N,6-dipropylpyrimidin-4-amine
CID 115381195
5-bromo-6-ethyl-2-(1-methoxy-2,2-dimethylpropyl)-N-propylpyrimidin-4-amine
CID 116729574

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(1-methylsulfonylethyl)-N,6-dipropylpyrimidin-4-amine?
The IUPAC name of 5-bromo-2-(1-methylsulfonylethyl)-N,6-dipropylpyrimidin-4-amine (CID 116633228) is 5-bromo-2-(1-methylsulfonylethyl)-N,6-dipropylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-(1-methylsulfonylethyl)-N,6-dipropylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-(1-methylsulfonylethyl)-N,6-dipropylpyrimidin-4-amine is CCCNc1nc(C(C)S(C)(=O)=O)nc(CCC)c1Br.
What is the InChIKey of 5-bromo-2-(1-methylsulfonylethyl)-N,6-dipropylpyrimidin-4-amine?
The InChIKey is GYOATYSJUOZRED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22BrN3O2S/c1-5-7-10-11(14)13(15-8-6-2)17-12(16-10)9(3)20(4,18)19/h9H,5-8H2,1-4H3,(H,15,16,17).
What are the key properties of 5-bromo-2-(1-methylsulfonylethyl)-N,6-dipropylpyrimidin-4-amine?
5-bromo-2-(1-methylsulfonylethyl)-N,6-dipropylpyrimidin-4-amine has a molecular weight of 364.31 g/mol, XLogP of 3.12, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(1-methylsulfonylethyl)-N,6-dipropylpyrimidin-4-amine is sourced from PubChem (CID 116633228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).