N-methyl-1-[4-methyl-2-(methylsulfanylmethyl)pyrimidin-5-yl]ethanamine

C10H17N3S — CID 62771548

IUPACN-methyl-1-[4-methyl-2-(methylsulfanylmethyl)pyrimidin-5-yl]ethanamine
SMILESCNC(C)c1cnc(CSC)nc1C
InChIInChI=1S/C10H17N3S/c1-7(11-3)9-5-12-10(6-14-4)13-8(9)2/h5,7,11H,6H2,1-4H3
InChIKeyMLKMZSUODHPYEF-UHFFFAOYSA-N
MW211.33 g/mol
LogP1.93
Rot. Bonds4

About N-methyl-1-[4-methyl-2-(methylsulfanylmethyl)pyrimidin-5-yl]ethanamine

N-methyl-1-[4-methyl-2-(methylsulfanylmethyl)pyrimidin-5-yl]ethanamine (PubChem CID 62771548) has the molecular formula C10H17N3S and a molecular weight of 211.33 g/mol. Its IUPAC name is N-methyl-1-[4-methyl-2-(methylsulfanylmethyl)pyrimidin-5-yl]ethanamine.

Molecular Properties

Compound NameN-methyl-1-[4-methyl-2-(methylsulfanylmethyl)pyrimidin-5-yl]ethanamine
PubChem CID62771548
Molecular FormulaC10H17N3S
Molecular Weight211.33 g/mol
Exact Mass211.11
IUPAC NameN-methyl-1-[4-methyl-2-(methylsulfanylmethyl)pyrimidin-5-yl]ethanamine
SMILESCNC(C)c1cnc(CSC)nc1C
InChIInChI=1S/C10H17N3S/c1-7(11-3)9-5-12-10(6-14-4)13-8(9)2/h5,7,11H,6H2,1-4H3
InChIKeyMLKMZSUODHPYEF-UHFFFAOYSA-N
XLogP1.93
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[4-methyl-2-(methylsulfanylmethyl)pyrimidin-5-yl]ethanamine?
The IUPAC name of N-methyl-1-[4-methyl-2-(methylsulfanylmethyl)pyrimidin-5-yl]ethanamine (CID 62771548) is N-methyl-1-[4-methyl-2-(methylsulfanylmethyl)pyrimidin-5-yl]ethanamine.
What is the SMILES notation for N-methyl-1-[4-methyl-2-(methylsulfanylmethyl)pyrimidin-5-yl]ethanamine?
The canonical SMILES for N-methyl-1-[4-methyl-2-(methylsulfanylmethyl)pyrimidin-5-yl]ethanamine is CNC(C)c1cnc(CSC)nc1C.
What is the InChIKey of N-methyl-1-[4-methyl-2-(methylsulfanylmethyl)pyrimidin-5-yl]ethanamine?
The InChIKey is MLKMZSUODHPYEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3S/c1-7(11-3)9-5-12-10(6-14-4)13-8(9)2/h5,7,11H,6H2,1-4H3.
What are the key properties of N-methyl-1-[4-methyl-2-(methylsulfanylmethyl)pyrimidin-5-yl]ethanamine?
N-methyl-1-[4-methyl-2-(methylsulfanylmethyl)pyrimidin-5-yl]ethanamine has a molecular weight of 211.33 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[4-methyl-2-(methylsulfanylmethyl)pyrimidin-5-yl]ethanamine is sourced from PubChem (CID 62771548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).