2,6-dimethyl-N-(2-thiomorpholin-4-ylethyl)pyrimidin-4-amine

C12H20N4S — CID 113234720

IUPAC2,6-dimethyl-N-(2-thiomorpholin-4-ylethyl)pyrimidin-4-amine
SMILESCc1cc(NCCN2CCSCC2)nc(C)n1
InChIInChI=1S/C12H20N4S/c1-10-9-12(15-11(2)14-10)13-3-4-16-5-7-17-8-6-16/h9H,3-8H2,1-2H3,(H,13,14,15)
InChIKeyJOJFAOBGQMIVEV-UHFFFAOYSA-N
MW252.39 g/mol
LogP1.55
Rot. Bonds4

About 2,6-dimethyl-N-(2-thiomorpholin-4-ylethyl)pyrimidin-4-amine

2,6-dimethyl-N-(2-thiomorpholin-4-ylethyl)pyrimidin-4-amine (PubChem CID 113234720) has the molecular formula C12H20N4S and a molecular weight of 252.39 g/mol. Its IUPAC name is 2,6-dimethyl-N-(2-thiomorpholin-4-ylethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2,6-dimethyl-N-(2-thiomorpholin-4-ylethyl)pyrimidin-4-amine
PubChem CID113234720
Molecular FormulaC12H20N4S
Molecular Weight252.39 g/mol
Exact Mass252.14
IUPAC Name2,6-dimethyl-N-(2-thiomorpholin-4-ylethyl)pyrimidin-4-amine
SMILESCc1cc(NCCN2CCSCC2)nc(C)n1
InChIInChI=1S/C12H20N4S/c1-10-9-12(15-11(2)14-10)13-3-4-16-5-7-17-8-6-16/h9H,3-8H2,1-2H3,(H,13,14,15)
InChIKeyJOJFAOBGQMIVEV-UHFFFAOYSA-N
XLogP1.55
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.39
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-N-(2-thiomorpholin-4-ylethyl)pyrimidin-4-amine?
The IUPAC name of 2,6-dimethyl-N-(2-thiomorpholin-4-ylethyl)pyrimidin-4-amine (CID 113234720) is 2,6-dimethyl-N-(2-thiomorpholin-4-ylethyl)pyrimidin-4-amine.
What is the SMILES notation for 2,6-dimethyl-N-(2-thiomorpholin-4-ylethyl)pyrimidin-4-amine?
The canonical SMILES for 2,6-dimethyl-N-(2-thiomorpholin-4-ylethyl)pyrimidin-4-amine is Cc1cc(NCCN2CCSCC2)nc(C)n1.
What is the InChIKey of 2,6-dimethyl-N-(2-thiomorpholin-4-ylethyl)pyrimidin-4-amine?
The InChIKey is JOJFAOBGQMIVEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4S/c1-10-9-12(15-11(2)14-10)13-3-4-16-5-7-17-8-6-16/h9H,3-8H2,1-2H3,(H,13,14,15).
What are the key properties of 2,6-dimethyl-N-(2-thiomorpholin-4-ylethyl)pyrimidin-4-amine?
2,6-dimethyl-N-(2-thiomorpholin-4-ylethyl)pyrimidin-4-amine has a molecular weight of 252.39 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-N-(2-thiomorpholin-4-ylethyl)pyrimidin-4-amine is sourced from PubChem (CID 113234720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).