N-[[4-methyl-2-(methylsulfonylmethyl)pyrimidin-5-yl]methyl]cyclopropanamine

C11H17N3O2S — CID 114206498

IUPACN-[[4-methyl-2-(methylsulfonylmethyl)pyrimidin-5-yl]methyl]cyclopropanamine
SMILESCc1nc(CS(C)(=O)=O)ncc1CNC1CC1
InChIInChI=1S/C11H17N3O2S/c1-8-9(5-12-10-3-4-10)6-13-11(14-8)7-17(2,15)16/h6,10,12H,3-5,7H2,1-2H3
InChIKeyKFHLGWAUFMCGHY-UHFFFAOYSA-N
MW255.34 g/mol
LogP0.58
Rot. Bonds5

About N-[[4-methyl-2-(methylsulfonylmethyl)pyrimidin-5-yl]methyl]cyclopropanamine

N-[[4-methyl-2-(methylsulfonylmethyl)pyrimidin-5-yl]methyl]cyclopropanamine (PubChem CID 114206498) has the molecular formula C11H17N3O2S and a molecular weight of 255.34 g/mol. Its IUPAC name is N-[[4-methyl-2-(methylsulfonylmethyl)pyrimidin-5-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-methyl-2-(methylsulfonylmethyl)pyrimidin-5-yl]methyl]cyclopropanamine
PubChem CID114206498
Molecular FormulaC11H17N3O2S
Molecular Weight255.34 g/mol
Exact Mass255.10
IUPAC NameN-[[4-methyl-2-(methylsulfonylmethyl)pyrimidin-5-yl]methyl]cyclopropanamine
SMILESCc1nc(CS(C)(=O)=O)ncc1CNC1CC1
InChIInChI=1S/C11H17N3O2S/c1-8-9(5-12-10-3-4-10)6-13-11(14-8)7-17(2,15)16/h6,10,12H,3-5,7H2,1-2H3
InChIKeyKFHLGWAUFMCGHY-UHFFFAOYSA-N
XLogP0.58
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 ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[4-methyl-2-(methylsulfonylmethyl)pyrimidin-5-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-methyl-2-(methylsulfonylmethyl)pyrimidin-5-yl]methyl]cyclopropanamine (CID 114206498) is N-[[4-methyl-2-(methylsulfonylmethyl)pyrimidin-5-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-methyl-2-(methylsulfonylmethyl)pyrimidin-5-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-methyl-2-(methylsulfonylmethyl)pyrimidin-5-yl]methyl]cyclopropanamine is Cc1nc(CS(C)(=O)=O)ncc1CNC1CC1.
What is the InChIKey of N-[[4-methyl-2-(methylsulfonylmethyl)pyrimidin-5-yl]methyl]cyclopropanamine?
The InChIKey is KFHLGWAUFMCGHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2S/c1-8-9(5-12-10-3-4-10)6-13-11(14-8)7-17(2,15)16/h6,10,12H,3-5,7H2,1-2H3.
What are the key properties of N-[[4-methyl-2-(methylsulfonylmethyl)pyrimidin-5-yl]methyl]cyclopropanamine?
N-[[4-methyl-2-(methylsulfonylmethyl)pyrimidin-5-yl]methyl]cyclopropanamine has a molecular weight of 255.34 g/mol, XLogP of 0.58, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-methyl-2-(methylsulfonylmethyl)pyrimidin-5-yl]methyl]cyclopropanamine is sourced from PubChem (CID 114206498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).