2-(2-cyclobutyl-6-methylsulfanylpyrimidin-4-yl)ethanamine

C11H17N3S — CID 83852446

IUPAC2-(2-cyclobutyl-6-methylsulfanylpyrimidin-4-yl)ethanamine
SMILESCSc1cc(CCN)nc(C2CCC2)n1
InChIInChI=1S/C11H17N3S/c1-15-10-7-9(5-6-12)13-11(14-10)8-3-2-4-8/h7-8H,2-6,12H2,1H3
InChIKeyNZSUYKJPGYWJGL-UHFFFAOYSA-N
MW223.34 g/mol
LogP1.97
Rot. Bonds4

About 2-(2-cyclobutyl-6-methylsulfanylpyrimidin-4-yl)ethanamine

2-(2-cyclobutyl-6-methylsulfanylpyrimidin-4-yl)ethanamine (PubChem CID 83852446) has the molecular formula C11H17N3S and a molecular weight of 223.34 g/mol. Its IUPAC name is 2-(2-cyclobutyl-6-methylsulfanylpyrimidin-4-yl)ethanamine.

Molecular Properties

Compound Name2-(2-cyclobutyl-6-methylsulfanylpyrimidin-4-yl)ethanamine
PubChem CID83852446
Molecular FormulaC11H17N3S
Molecular Weight223.34 g/mol
Exact Mass223.11
IUPAC Name2-(2-cyclobutyl-6-methylsulfanylpyrimidin-4-yl)ethanamine
SMILESCSc1cc(CCN)nc(C2CCC2)n1
InChIInChI=1S/C11H17N3S/c1-15-10-7-9(5-6-12)13-11(14-10)8-3-2-4-8/h7-8H,2-6,12H2,1H3
InChIKeyNZSUYKJPGYWJGL-UHFFFAOYSA-N
XLogP1.97
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-cyclopropyl-6-methylsulfanylpyrimidin-2-yl)methanamine
CID 83915771
2-(2-cyclopentyl-4,6-diethylpyrimidin-5-yl)ethanamine
CID 79219605
2-(2-cyclohexyl-4,6-diethylpyrimidin-5-yl)ethanamine
CID 79219146
2-cyclobutyl-6-(methoxymethyl)pyrimidin-4-amine
CID 64986047
(2-cyclopentyl-6-methoxypyrimidin-4-yl)methanamine
CID 83852183
3-(6-cyclobutyl-2-methylpyrimidin-4-yl)propan-1-amine
CID 83848275
4-chloro-2-cyclooctyl-6-propylpyrimidine
CID 80602535
2-[6-methyl-2-(oxolan-2-yl)pyrimidin-4-yl]ethanamine
CID 65328331
2-cyclobutyl-4,6-dimethylpyrimidine
CID 122534003
2-cyclooctyl-N-ethyl-6-propylpyrimidin-4-amine
CID 80609287
2-(2-cyclopropyl-4-methylsulfanylpyrimidin-5-yl)ethanamine
CID 83852227
2-cycloheptyl-N-methyl-6-propylpyrimidin-4-amine
CID 65399592

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclobutyl-6-methylsulfanylpyrimidin-4-yl)ethanamine?
The IUPAC name of 2-(2-cyclobutyl-6-methylsulfanylpyrimidin-4-yl)ethanamine (CID 83852446) is 2-(2-cyclobutyl-6-methylsulfanylpyrimidin-4-yl)ethanamine.
What is the SMILES notation for 2-(2-cyclobutyl-6-methylsulfanylpyrimidin-4-yl)ethanamine?
The canonical SMILES for 2-(2-cyclobutyl-6-methylsulfanylpyrimidin-4-yl)ethanamine is CSc1cc(CCN)nc(C2CCC2)n1.
What is the InChIKey of 2-(2-cyclobutyl-6-methylsulfanylpyrimidin-4-yl)ethanamine?
The InChIKey is NZSUYKJPGYWJGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3S/c1-15-10-7-9(5-6-12)13-11(14-10)8-3-2-4-8/h7-8H,2-6,12H2,1H3.
What are the key properties of 2-(2-cyclobutyl-6-methylsulfanylpyrimidin-4-yl)ethanamine?
2-(2-cyclobutyl-6-methylsulfanylpyrimidin-4-yl)ethanamine has a molecular weight of 223.34 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclobutyl-6-methylsulfanylpyrimidin-4-yl)ethanamine is sourced from PubChem (CID 83852446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).