N,4-dimethyl-5-(methylaminomethyl)-N-(2-methylsulfonylethyl)pyrimidin-2-amine

C11H20N4O2S — CID 83189165

IUPACN,4-dimethyl-5-(methylaminomethyl)-N-(2-methylsulfonylethyl)pyrimidin-2-amine
SMILESCNCc1cnc(N(C)CCS(C)(=O)=O)nc1C
InChIInChI=1S/C11H20N4O2S/c1-9-10(7-12-2)8-13-11(14-9)15(3)5-6-18(4,16)17/h8,12H,5-7H2,1-4H3
InChIKeyOTJUXEDNZDNLGX-UHFFFAOYSA-N
MW272.37 g/mol
LogP-0.01
Rot. Bonds6

About N,4-dimethyl-5-(methylaminomethyl)-N-(2-methylsulfonylethyl)pyrimidin-2-amine

N,4-dimethyl-5-(methylaminomethyl)-N-(2-methylsulfonylethyl)pyrimidin-2-amine (PubChem CID 83189165) has the molecular formula C11H20N4O2S and a molecular weight of 272.37 g/mol. Its IUPAC name is N,4-dimethyl-5-(methylaminomethyl)-N-(2-methylsulfonylethyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN,4-dimethyl-5-(methylaminomethyl)-N-(2-methylsulfonylethyl)pyrimidin-2-amine
PubChem CID83189165
Molecular FormulaC11H20N4O2S
Molecular Weight272.37 g/mol
Exact Mass272.13
IUPAC NameN,4-dimethyl-5-(methylaminomethyl)-N-(2-methylsulfonylethyl)pyrimidin-2-amine
SMILESCNCc1cnc(N(C)CCS(C)(=O)=O)nc1C
InChIInChI=1S/C11H20N4O2S/c1-9-10(7-12-2)8-13-11(14-9)15(3)5-6-18(4,16)17/h8,12H,5-7H2,1-4H3
InChIKeyOTJUXEDNZDNLGX-UHFFFAOYSA-N
XLogP-0.01
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-5-(methylaminomethyl)-N-(2-methylsulfonylethyl)pyrimidin-2-amine?
The IUPAC name of N,4-dimethyl-5-(methylaminomethyl)-N-(2-methylsulfonylethyl)pyrimidin-2-amine (CID 83189165) is N,4-dimethyl-5-(methylaminomethyl)-N-(2-methylsulfonylethyl)pyrimidin-2-amine.
What is the SMILES notation for N,4-dimethyl-5-(methylaminomethyl)-N-(2-methylsulfonylethyl)pyrimidin-2-amine?
The canonical SMILES for N,4-dimethyl-5-(methylaminomethyl)-N-(2-methylsulfonylethyl)pyrimidin-2-amine is CNCc1cnc(N(C)CCS(C)(=O)=O)nc1C.
What is the InChIKey of N,4-dimethyl-5-(methylaminomethyl)-N-(2-methylsulfonylethyl)pyrimidin-2-amine?
The InChIKey is OTJUXEDNZDNLGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2S/c1-9-10(7-12-2)8-13-11(14-9)15(3)5-6-18(4,16)17/h8,12H,5-7H2,1-4H3.
What are the key properties of N,4-dimethyl-5-(methylaminomethyl)-N-(2-methylsulfonylethyl)pyrimidin-2-amine?
N,4-dimethyl-5-(methylaminomethyl)-N-(2-methylsulfonylethyl)pyrimidin-2-amine has a molecular weight of 272.37 g/mol, XLogP of -0.01, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-5-(methylaminomethyl)-N-(2-methylsulfonylethyl)pyrimidin-2-amine is sourced from PubChem (CID 83189165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).