N-[[2-(1-methylsulfonylethyl)pyrimidin-5-yl]methyl]cyclopropanamine

C11H17N3O2S — CID 116633398

IUPACN-[[2-(1-methylsulfonylethyl)pyrimidin-5-yl]methyl]cyclopropanamine
SMILESCC(c1ncc(CNC2CC2)cn1)S(C)(=O)=O
InChIInChI=1S/C11H17N3O2S/c1-8(17(2,15)16)11-13-6-9(7-14-11)5-12-10-3-4-10/h6-8,10,12H,3-5H2,1-2H3
InChIKeyPNJDXZPUFVGLNU-UHFFFAOYSA-N
MW255.34 g/mol
LogP0.83
Rot. Bonds5

About N-[[2-(1-methylsulfonylethyl)pyrimidin-5-yl]methyl]cyclopropanamine

N-[[2-(1-methylsulfonylethyl)pyrimidin-5-yl]methyl]cyclopropanamine (PubChem CID 116633398) has the molecular formula C11H17N3O2S and a molecular weight of 255.34 g/mol. Its IUPAC name is N-[[2-(1-methylsulfonylethyl)pyrimidin-5-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(1-methylsulfonylethyl)pyrimidin-5-yl]methyl]cyclopropanamine
PubChem CID116633398
Molecular FormulaC11H17N3O2S
Molecular Weight255.34 g/mol
Exact Mass255.10
IUPAC NameN-[[2-(1-methylsulfonylethyl)pyrimidin-5-yl]methyl]cyclopropanamine
SMILESCC(c1ncc(CNC2CC2)cn1)S(C)(=O)=O
InChIInChI=1S/C11H17N3O2S/c1-8(17(2,15)16)11-13-6-9(7-14-11)5-12-10-3-4-10/h6-8,10,12H,3-5H2,1-2H3
InChIKeyPNJDXZPUFVGLNU-UHFFFAOYSA-N
XLogP0.83
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[6-(4-methylsulfonylphenyl)-3-pyridinyl]methyl]cyclopropanamine
CID 175646911
N-[(2-cyclopropylpyrimidin-5-yl)methyl]cyclopropanamine
CID 62757323
N-[[2-[cyclohexyl(ethoxy)methyl]pyrimidin-5-yl]methyl]cyclopropanamine
CID 116778816
N-[[2-(methylsulfanylmethyl)pyrimidin-5-yl]methyl]cyclopropanamine
CID 62757142
2-[[5-[(cyclopropylamino)methyl]pyrimidin-2-yl]-methylamino]propan-1-ol
CID 104552865
N-[(6-methyl-3-pyridinyl)methyl]cyclopropanamine
CID 43163855
N-[(6-propan-2-yloxy-3-pyridinyl)methyl]cyclopropanamine
CID 62290349
5-[(cyclopropylamino)methyl]-N-(3-methylsulfanylbutyl)pyridine-2-sulfonamide
CID 106082374
N-[[2-(4-ethylcyclohexyl)pyrimidin-5-yl]methyl]cyclopropanamine
CID 65391135
1-[4-[(cyclopropylamino)methyl]phenyl]-N',N'-dimethylmethanesulfonohydrazide
CID 106074813
5-[(cyclopropylamino)methyl]-N-(3-methyl-2-propan-2-ylbutyl)pyridin-2-amine
CID 102915278
N-[[4-methyl-2-(methylsulfonylmethyl)pyrimidin-5-yl]methyl]cyclopropanamine
CID 114206498

Frequently Asked Questions

What is the IUPAC name of N-[[2-(1-methylsulfonylethyl)pyrimidin-5-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(1-methylsulfonylethyl)pyrimidin-5-yl]methyl]cyclopropanamine (CID 116633398) is N-[[2-(1-methylsulfonylethyl)pyrimidin-5-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(1-methylsulfonylethyl)pyrimidin-5-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(1-methylsulfonylethyl)pyrimidin-5-yl]methyl]cyclopropanamine is CC(c1ncc(CNC2CC2)cn1)S(C)(=O)=O.
What is the InChIKey of N-[[2-(1-methylsulfonylethyl)pyrimidin-5-yl]methyl]cyclopropanamine?
The InChIKey is PNJDXZPUFVGLNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2S/c1-8(17(2,15)16)11-13-6-9(7-14-11)5-12-10-3-4-10/h6-8,10,12H,3-5H2,1-2H3.
What are the key properties of N-[[2-(1-methylsulfonylethyl)pyrimidin-5-yl]methyl]cyclopropanamine?
N-[[2-(1-methylsulfonylethyl)pyrimidin-5-yl]methyl]cyclopropanamine has a molecular weight of 255.34 g/mol, XLogP of 0.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(1-methylsulfonylethyl)pyrimidin-5-yl]methyl]cyclopropanamine is sourced from PubChem (CID 116633398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).