4,5-dimethyl-6-(4-thiomorpholin-4-ylpiperidin-1-yl)pyrimidin-2-amine

C15H25N5S — CID 72837991

IUPAC4,5-dimethyl-6-(4-thiomorpholin-4-ylpiperidin-1-yl)pyrimidin-2-amine
SMILESCc1nc(N)nc(N2CCC(N3CCSCC3)CC2)c1C
InChIInChI=1S/C15H25N5S/c1-11-12(2)17-15(16)18-14(11)20-5-3-13(4-6-20)19-7-9-21-10-8-19/h13H,3-10H2,1-2H3,(H2,16,17,18)
InChIKeyJEQGACULQAUKBH-UHFFFAOYSA-N
MW307.47 g/mol
LogP1.69
Rot. Bonds2

About 4,5-dimethyl-6-(4-thiomorpholin-4-ylpiperidin-1-yl)pyrimidin-2-amine

4,5-dimethyl-6-(4-thiomorpholin-4-ylpiperidin-1-yl)pyrimidin-2-amine (PubChem CID 72837991) has the molecular formula C15H25N5S and a molecular weight of 307.47 g/mol. Its IUPAC name is 4,5-dimethyl-6-(4-thiomorpholin-4-ylpiperidin-1-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name4,5-dimethyl-6-(4-thiomorpholin-4-ylpiperidin-1-yl)pyrimidin-2-amine
PubChem CID72837991
Molecular FormulaC15H25N5S
Molecular Weight307.47 g/mol
Exact Mass307.18
IUPAC Name4,5-dimethyl-6-(4-thiomorpholin-4-ylpiperidin-1-yl)pyrimidin-2-amine
SMILESCc1nc(N)nc(N2CCC(N3CCSCC3)CC2)c1C
InChIInChI=1S/C15H25N5S/c1-11-12(2)17-15(16)18-14(11)20-5-3-13(4-6-20)19-7-9-21-10-8-19/h13H,3-10H2,1-2H3,(H2,16,17,18)
InChIKeyJEQGACULQAUKBH-UHFFFAOYSA-N
XLogP1.69
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.47
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-6-(4-thiomorpholin-4-ylpiperidin-1-yl)pyrimidin-2-amine?
The IUPAC name of 4,5-dimethyl-6-(4-thiomorpholin-4-ylpiperidin-1-yl)pyrimidin-2-amine (CID 72837991) is 4,5-dimethyl-6-(4-thiomorpholin-4-ylpiperidin-1-yl)pyrimidin-2-amine.
What is the SMILES notation for 4,5-dimethyl-6-(4-thiomorpholin-4-ylpiperidin-1-yl)pyrimidin-2-amine?
The canonical SMILES for 4,5-dimethyl-6-(4-thiomorpholin-4-ylpiperidin-1-yl)pyrimidin-2-amine is Cc1nc(N)nc(N2CCC(N3CCSCC3)CC2)c1C.
What is the InChIKey of 4,5-dimethyl-6-(4-thiomorpholin-4-ylpiperidin-1-yl)pyrimidin-2-amine?
The InChIKey is JEQGACULQAUKBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5S/c1-11-12(2)17-15(16)18-14(11)20-5-3-13(4-6-20)19-7-9-21-10-8-19/h13H,3-10H2,1-2H3,(H2,16,17,18).
What are the key properties of 4,5-dimethyl-6-(4-thiomorpholin-4-ylpiperidin-1-yl)pyrimidin-2-amine?
4,5-dimethyl-6-(4-thiomorpholin-4-ylpiperidin-1-yl)pyrimidin-2-amine has a molecular weight of 307.47 g/mol, XLogP of 1.69, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-6-(4-thiomorpholin-4-ylpiperidin-1-yl)pyrimidin-2-amine is sourced from PubChem (CID 72837991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).