2-ethyl-4-(2-thiomorpholin-4-ylethylamino)-1H-pyrimidin-6-one

C12H20N4OS — CID 136876843

IUPAC2-ethyl-4-(2-thiomorpholin-4-ylethylamino)-1H-pyrimidin-6-one
SMILESCCc1nc(NCCN2CCSCC2)cc(=O)[nH]1
InChIInChI=1S/C12H20N4OS/c1-2-10-14-11(9-12(17)15-10)13-3-4-16-5-7-18-8-6-16/h9H,2-8H2,1H3,(H2,13,14,15,17)
InChIKeyGJHKCXATSWDHMJ-UHFFFAOYSA-N
MW268.39 g/mol
LogP0.79
Rot. Bonds5

About 2-ethyl-4-(2-thiomorpholin-4-ylethylamino)-1H-pyrimidin-6-one

2-ethyl-4-(2-thiomorpholin-4-ylethylamino)-1H-pyrimidin-6-one (PubChem CID 136876843) has the molecular formula C12H20N4OS and a molecular weight of 268.39 g/mol. Its IUPAC name is 2-ethyl-4-(2-thiomorpholin-4-ylethylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-ethyl-4-(2-thiomorpholin-4-ylethylamino)-1H-pyrimidin-6-one
PubChem CID136876843
Molecular FormulaC12H20N4OS
Molecular Weight268.39 g/mol
Exact Mass268.14
IUPAC Name2-ethyl-4-(2-thiomorpholin-4-ylethylamino)-1H-pyrimidin-6-one
SMILESCCc1nc(NCCN2CCSCC2)cc(=O)[nH]1
InChIInChI=1S/C12H20N4OS/c1-2-10-14-11(9-12(17)15-10)13-3-4-16-5-7-18-8-6-16/h9H,2-8H2,1H3,(H2,13,14,15,17)
InChIKeyGJHKCXATSWDHMJ-UHFFFAOYSA-N
XLogP0.79
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.39
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-(2-thiomorpholin-4-ylethylamino)-1H-pyrimidin-6-one?
The IUPAC name of 2-ethyl-4-(2-thiomorpholin-4-ylethylamino)-1H-pyrimidin-6-one (CID 136876843) is 2-ethyl-4-(2-thiomorpholin-4-ylethylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-ethyl-4-(2-thiomorpholin-4-ylethylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 2-ethyl-4-(2-thiomorpholin-4-ylethylamino)-1H-pyrimidin-6-one is CCc1nc(NCCN2CCSCC2)cc(=O)[nH]1.
What is the InChIKey of 2-ethyl-4-(2-thiomorpholin-4-ylethylamino)-1H-pyrimidin-6-one?
The InChIKey is GJHKCXATSWDHMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4OS/c1-2-10-14-11(9-12(17)15-10)13-3-4-16-5-7-18-8-6-16/h9H,2-8H2,1H3,(H2,13,14,15,17).
What are the key properties of 2-ethyl-4-(2-thiomorpholin-4-ylethylamino)-1H-pyrimidin-6-one?
2-ethyl-4-(2-thiomorpholin-4-ylethylamino)-1H-pyrimidin-6-one has a molecular weight of 268.39 g/mol, XLogP of 0.79, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-(2-thiomorpholin-4-ylethylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136876843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).