6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methylsulfanyl-N-propylpyrimidin-4-amine

C14H24N4OS — CID 104961797

IUPAC6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methylsulfanyl-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(N2C[C@@H](C)O[C@@H](C)C2)nc(SC)n1
InChIInChI=1S/C14H24N4OS/c1-5-6-15-12-7-13(17-14(16-12)20-4)18-8-10(2)19-11(3)9-18/h7,10-11H,5-6,8-9H2,1-4H3,(H,15,16,17)/t10-,11+
InChIKeyXBOBWAIZEJGCPP-PHIMTYICSA-N
MW296.44 g/mol
LogP2.63
Rot. Bonds5

About 6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methylsulfanyl-N-propylpyrimidin-4-amine

6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methylsulfanyl-N-propylpyrimidin-4-amine (PubChem CID 104961797) has the molecular formula C14H24N4OS and a molecular weight of 296.44 g/mol. Its IUPAC name is 6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methylsulfanyl-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methylsulfanyl-N-propylpyrimidin-4-amine
PubChem CID104961797
Molecular FormulaC14H24N4OS
Molecular Weight296.44 g/mol
Exact Mass296.17
IUPAC Name6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methylsulfanyl-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(N2C[C@@H](C)O[C@@H](C)C2)nc(SC)n1
InChIInChI=1S/C14H24N4OS/c1-5-6-15-12-7-13(17-14(16-12)20-4)18-8-10(2)19-11(3)9-18/h7,10-11H,5-6,8-9H2,1-4H3,(H,15,16,17)/t10-,11+
InChIKeyXBOBWAIZEJGCPP-PHIMTYICSA-N
XLogP2.63
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methylsulfanyl-N-propylpyrimidin-4-amine with MolForge

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Related Compounds

1-[2-methylsulfanyl-6-(propylamino)pyrimidin-4-yl]pyrrolidine-3,4-diol
CID 106674572
2-cyclopropyl-6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-propylpyrimidin-4-amine
CID 104961859
6-(2,6-dimethylmorpholin-4-yl)-N-propylpyrimidin-4-amine
CID 80764701
6-(2-methylpyrrolidin-1-yl)-2-methylsulfanyl-N-propylpyrimidin-4-amine
CID 80791344
6-(2,6-dimethylmorpholin-4-yl)-N-propylpyrazin-2-amine
CID 80764263
6-(2,2-dimethylmorpholin-4-yl)-2-methylsulfanyl-N-propylpyrimidin-4-amine
CID 80789621
6-N-methyl-2-methylsulfanyl-4-N-propylpyrimidine-4,6-diamine
CID 80765356
2-methylsulfanyl-N-propyl-6-(2-propylpiperidin-1-yl)pyrimidin-4-amine
CID 83045067
6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-ethyl-2-propan-2-ylpyrimidin-4-amine
CID 104961825
6-(3,4-dimethylpiperazin-1-yl)-N-ethyl-2-methylsulfanylpyrimidin-4-amine
CID 80833597
2-methylsulfanyl-4-N-(2-methylsulfanylethyl)-6-N-propylpyrimidine-4,6-diamine
CID 80838992
4-N-(3-cyclopentylpropyl)-2-methylsulfanyl-6-N-propylpyrimidine-4,6-diamine
CID 106014890

Frequently Asked Questions

What is the IUPAC name of 6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methylsulfanyl-N-propylpyrimidin-4-amine?
The IUPAC name of 6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methylsulfanyl-N-propylpyrimidin-4-amine (CID 104961797) is 6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methylsulfanyl-N-propylpyrimidin-4-amine.
What is the SMILES notation for 6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methylsulfanyl-N-propylpyrimidin-4-amine?
The canonical SMILES for 6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methylsulfanyl-N-propylpyrimidin-4-amine is CCCNc1cc(N2C[C@@H](C)O[C@@H](C)C2)nc(SC)n1.
What is the InChIKey of 6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methylsulfanyl-N-propylpyrimidin-4-amine?
The InChIKey is XBOBWAIZEJGCPP-PHIMTYICSA-N. The full InChI is InChI=1S/C14H24N4OS/c1-5-6-15-12-7-13(17-14(16-12)20-4)18-8-10(2)19-11(3)9-18/h7,10-11H,5-6,8-9H2,1-4H3,(H,15,16,17)/t10-,11+.
What are the key properties of 6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methylsulfanyl-N-propylpyrimidin-4-amine?
6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methylsulfanyl-N-propylpyrimidin-4-amine has a molecular weight of 296.44 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methylsulfanyl-N-propylpyrimidin-4-amine is sourced from PubChem (CID 104961797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).