N-[[6-methyl-2-(methylsulfonylmethyl)pyrimidin-4-yl]methyl]ethanamine

C10H17N3O2S — CID 62746741

IUPACN-[[6-methyl-2-(methylsulfonylmethyl)pyrimidin-4-yl]methyl]ethanamine
SMILESCCNCc1cc(C)nc(CS(C)(=O)=O)n1
InChIInChI=1S/C10H17N3O2S/c1-4-11-6-9-5-8(2)12-10(13-9)7-16(3,14)15/h5,11H,4,6-7H2,1-3H3
InChIKeyUUCLHRVCUJHZKA-UHFFFAOYSA-N
MW243.33 g/mol
LogP0.44
Rot. Bonds5

About N-[[6-methyl-2-(methylsulfonylmethyl)pyrimidin-4-yl]methyl]ethanamine

N-[[6-methyl-2-(methylsulfonylmethyl)pyrimidin-4-yl]methyl]ethanamine (PubChem CID 62746741) has the molecular formula C10H17N3O2S and a molecular weight of 243.33 g/mol. Its IUPAC name is N-[[6-methyl-2-(methylsulfonylmethyl)pyrimidin-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[6-methyl-2-(methylsulfonylmethyl)pyrimidin-4-yl]methyl]ethanamine
PubChem CID62746741
Molecular FormulaC10H17N3O2S
Molecular Weight243.33 g/mol
Exact Mass243.10
IUPAC NameN-[[6-methyl-2-(methylsulfonylmethyl)pyrimidin-4-yl]methyl]ethanamine
SMILESCCNCc1cc(C)nc(CS(C)(=O)=O)n1
InChIInChI=1S/C10H17N3O2S/c1-4-11-6-9-5-8(2)12-10(13-9)7-16(3,14)15/h5,11H,4,6-7H2,1-3H3
InChIKeyUUCLHRVCUJHZKA-UHFFFAOYSA-N
XLogP0.44
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[6-methyl-2-(methylsulfonylmethyl)pyrimidin-4-yl]methyl]ethanamine?
The IUPAC name of N-[[6-methyl-2-(methylsulfonylmethyl)pyrimidin-4-yl]methyl]ethanamine (CID 62746741) is N-[[6-methyl-2-(methylsulfonylmethyl)pyrimidin-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[6-methyl-2-(methylsulfonylmethyl)pyrimidin-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[6-methyl-2-(methylsulfonylmethyl)pyrimidin-4-yl]methyl]ethanamine is CCNCc1cc(C)nc(CS(C)(=O)=O)n1.
What is the InChIKey of N-[[6-methyl-2-(methylsulfonylmethyl)pyrimidin-4-yl]methyl]ethanamine?
The InChIKey is UUCLHRVCUJHZKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2S/c1-4-11-6-9-5-8(2)12-10(13-9)7-16(3,14)15/h5,11H,4,6-7H2,1-3H3.
What are the key properties of N-[[6-methyl-2-(methylsulfonylmethyl)pyrimidin-4-yl]methyl]ethanamine?
N-[[6-methyl-2-(methylsulfonylmethyl)pyrimidin-4-yl]methyl]ethanamine has a molecular weight of 243.33 g/mol, XLogP of 0.44, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-methyl-2-(methylsulfonylmethyl)pyrimidin-4-yl]methyl]ethanamine is sourced from PubChem (CID 62746741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).