4-(2,6-dimethylthiomorpholin-4-yl)-N,6-dimethylpyrimidin-2-amine

C12H20N4S — CID 80835991

IUPAC4-(2,6-dimethylthiomorpholin-4-yl)-N,6-dimethylpyrimidin-2-amine
SMILESCNc1nc(C)cc(N2CC(C)SC(C)C2)n1
InChIInChI=1S/C12H20N4S/c1-8-5-11(15-12(13-4)14-8)16-6-9(2)17-10(3)7-16/h5,9-10H,6-7H2,1-4H3,(H,13,14,15)
InChIKeyXIIPLJIYEFFYOK-UHFFFAOYSA-N
MW252.39 g/mol
LogP2.16
Rot. Bonds2

About 4-(2,6-dimethylthiomorpholin-4-yl)-N,6-dimethylpyrimidin-2-amine

4-(2,6-dimethylthiomorpholin-4-yl)-N,6-dimethylpyrimidin-2-amine (PubChem CID 80835991) has the molecular formula C12H20N4S and a molecular weight of 252.39 g/mol. Its IUPAC name is 4-(2,6-dimethylthiomorpholin-4-yl)-N,6-dimethylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(2,6-dimethylthiomorpholin-4-yl)-N,6-dimethylpyrimidin-2-amine
PubChem CID80835991
Molecular FormulaC12H20N4S
Molecular Weight252.39 g/mol
Exact Mass252.14
IUPAC Name4-(2,6-dimethylthiomorpholin-4-yl)-N,6-dimethylpyrimidin-2-amine
SMILESCNc1nc(C)cc(N2CC(C)SC(C)C2)n1
InChIInChI=1S/C12H20N4S/c1-8-5-11(15-12(13-4)14-8)16-6-9(2)17-10(3)7-16/h5,9-10H,6-7H2,1-4H3,(H,13,14,15)
InChIKeyXIIPLJIYEFFYOK-UHFFFAOYSA-N
XLogP2.16
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.39
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dimethylthiomorpholin-4-yl)-N,6-dimethylpyrimidin-2-amine?
The IUPAC name of 4-(2,6-dimethylthiomorpholin-4-yl)-N,6-dimethylpyrimidin-2-amine (CID 80835991) is 4-(2,6-dimethylthiomorpholin-4-yl)-N,6-dimethylpyrimidin-2-amine.
What is the SMILES notation for 4-(2,6-dimethylthiomorpholin-4-yl)-N,6-dimethylpyrimidin-2-amine?
The canonical SMILES for 4-(2,6-dimethylthiomorpholin-4-yl)-N,6-dimethylpyrimidin-2-amine is CNc1nc(C)cc(N2CC(C)SC(C)C2)n1.
What is the InChIKey of 4-(2,6-dimethylthiomorpholin-4-yl)-N,6-dimethylpyrimidin-2-amine?
The InChIKey is XIIPLJIYEFFYOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4S/c1-8-5-11(15-12(13-4)14-8)16-6-9(2)17-10(3)7-16/h5,9-10H,6-7H2,1-4H3,(H,13,14,15).
What are the key properties of 4-(2,6-dimethylthiomorpholin-4-yl)-N,6-dimethylpyrimidin-2-amine?
4-(2,6-dimethylthiomorpholin-4-yl)-N,6-dimethylpyrimidin-2-amine has a molecular weight of 252.39 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dimethylthiomorpholin-4-yl)-N,6-dimethylpyrimidin-2-amine is sourced from PubChem (CID 80835991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).