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

C9H15N3S — CID 94587549

IUPAC(1R)-1-[4-methyl-2-(methylsulfanylmethyl)pyrimidin-5-yl]ethanamine
SMILESCSCc1ncc([C@@H](C)N)c(C)n1
InChIInChI=1S/C9H15N3S/c1-6(10)8-4-11-9(5-13-3)12-7(8)2/h4,6H,5,10H2,1-3H3/t6-/m1/s1
InChIKeyXYOCBMINLAAPLP-ZCFIWIBFSA-N
MW197.31 g/mol
LogP1.67
Rot. Bonds3

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

(1R)-1-[4-methyl-2-(methylsulfanylmethyl)pyrimidin-5-yl]ethanamine (PubChem CID 94587549) has the molecular formula C9H15N3S and a molecular weight of 197.31 g/mol. Its IUPAC name is (1R)-1-[4-methyl-2-(methylsulfanylmethyl)pyrimidin-5-yl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[4-methyl-2-(methylsulfanylmethyl)pyrimidin-5-yl]ethanamine
PubChem CID94587549
Molecular FormulaC9H15N3S
Molecular Weight197.31 g/mol
Exact Mass197.10
IUPAC Name(1R)-1-[4-methyl-2-(methylsulfanylmethyl)pyrimidin-5-yl]ethanamine
SMILESCSCc1ncc([C@@H](C)N)c(C)n1
InChIInChI=1S/C9H15N3S/c1-6(10)8-4-11-9(5-13-3)12-7(8)2/h4,6H,5,10H2,1-3H3/t6-/m1/s1
InChIKeyXYOCBMINLAAPLP-ZCFIWIBFSA-N
XLogP1.67
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.31
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-methyl-2-(methylsulfanylmethyl)pyrimidin-5-yl]ethanamine?
The IUPAC name of (1R)-1-[4-methyl-2-(methylsulfanylmethyl)pyrimidin-5-yl]ethanamine (CID 94587549) is (1R)-1-[4-methyl-2-(methylsulfanylmethyl)pyrimidin-5-yl]ethanamine.
What is the SMILES notation for (1R)-1-[4-methyl-2-(methylsulfanylmethyl)pyrimidin-5-yl]ethanamine?
The canonical SMILES for (1R)-1-[4-methyl-2-(methylsulfanylmethyl)pyrimidin-5-yl]ethanamine is CSCc1ncc([C@@H](C)N)c(C)n1.
What is the InChIKey of (1R)-1-[4-methyl-2-(methylsulfanylmethyl)pyrimidin-5-yl]ethanamine?
The InChIKey is XYOCBMINLAAPLP-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H15N3S/c1-6(10)8-4-11-9(5-13-3)12-7(8)2/h4,6H,5,10H2,1-3H3/t6-/m1/s1.
What are the key properties of (1R)-1-[4-methyl-2-(methylsulfanylmethyl)pyrimidin-5-yl]ethanamine?
(1R)-1-[4-methyl-2-(methylsulfanylmethyl)pyrimidin-5-yl]ethanamine has a molecular weight of 197.31 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[4-methyl-2-(methylsulfanylmethyl)pyrimidin-5-yl]ethanamine is sourced from PubChem (CID 94587549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).