6-(2,2-dimethylmorpholin-4-yl)-2-methylsulfanyl-N-propylpyrimidin-4-amine

C14H24N4OS — CID 80789621

IUPAC6-(2,2-dimethylmorpholin-4-yl)-2-methylsulfanyl-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(N2CCOC(C)(C)C2)nc(SC)n1
InChIInChI=1S/C14H24N4OS/c1-5-6-15-11-9-12(17-13(16-11)20-4)18-7-8-19-14(2,3)10-18/h9H,5-8,10H2,1-4H3,(H,15,16,17)
InChIKeyFSMLDACXTRFZEJ-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.64
Rot. Bonds5

About 6-(2,2-dimethylmorpholin-4-yl)-2-methylsulfanyl-N-propylpyrimidin-4-amine

6-(2,2-dimethylmorpholin-4-yl)-2-methylsulfanyl-N-propylpyrimidin-4-amine (PubChem CID 80789621) has the molecular formula C14H24N4OS and a molecular weight of 296.44 g/mol. Its IUPAC name is 6-(2,2-dimethylmorpholin-4-yl)-2-methylsulfanyl-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(2,2-dimethylmorpholin-4-yl)-2-methylsulfanyl-N-propylpyrimidin-4-amine
PubChem CID80789621
Molecular FormulaC14H24N4OS
Molecular Weight296.44 g/mol
Exact Mass296.17
IUPAC Name6-(2,2-dimethylmorpholin-4-yl)-2-methylsulfanyl-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(N2CCOC(C)(C)C2)nc(SC)n1
InChIInChI=1S/C14H24N4OS/c1-5-6-15-11-9-12(17-13(16-11)20-4)18-7-8-19-14(2,3)10-18/h9H,5-8,10H2,1-4H3,(H,15,16,17)
InChIKeyFSMLDACXTRFZEJ-UHFFFAOYSA-N
XLogP2.64
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 ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(2,2-dimethylmorpholin-4-yl)-2-methylsulfanyl-N-propylpyrimidin-4-amine?
The IUPAC name of 6-(2,2-dimethylmorpholin-4-yl)-2-methylsulfanyl-N-propylpyrimidin-4-amine (CID 80789621) is 6-(2,2-dimethylmorpholin-4-yl)-2-methylsulfanyl-N-propylpyrimidin-4-amine.
What is the SMILES notation for 6-(2,2-dimethylmorpholin-4-yl)-2-methylsulfanyl-N-propylpyrimidin-4-amine?
The canonical SMILES for 6-(2,2-dimethylmorpholin-4-yl)-2-methylsulfanyl-N-propylpyrimidin-4-amine is CCCNc1cc(N2CCOC(C)(C)C2)nc(SC)n1.
What is the InChIKey of 6-(2,2-dimethylmorpholin-4-yl)-2-methylsulfanyl-N-propylpyrimidin-4-amine?
The InChIKey is FSMLDACXTRFZEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4OS/c1-5-6-15-11-9-12(17-13(16-11)20-4)18-7-8-19-14(2,3)10-18/h9H,5-8,10H2,1-4H3,(H,15,16,17).
What are the key properties of 6-(2,2-dimethylmorpholin-4-yl)-2-methylsulfanyl-N-propylpyrimidin-4-amine?
6-(2,2-dimethylmorpholin-4-yl)-2-methylsulfanyl-N-propylpyrimidin-4-amine has a molecular weight of 296.44 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,2-dimethylmorpholin-4-yl)-2-methylsulfanyl-N-propylpyrimidin-4-amine is sourced from PubChem (CID 80789621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).