5-ethyl-4-methyl-2-(2-morpholin-4-ylethylsulfanyl)-1H-pyrimidin-6-one

C13H21N3O2S — CID 135524380

IUPAC5-ethyl-4-methyl-2-(2-morpholin-4-ylethylsulfanyl)-1H-pyrimidin-6-one
SMILESCCc1c(C)nc(SCCN2CCOCC2)[nH]c1=O
InChIInChI=1S/C13H21N3O2S/c1-3-11-10(2)14-13(15-12(11)17)19-9-6-16-4-7-18-8-5-16/h3-9H2,1-2H3,(H,14,15,17)
InChIKeyRHVLMGVSYKBWOF-UHFFFAOYSA-N
MW283.40 g/mol
LogP1.07
Rot. Bonds5

About 5-ethyl-4-methyl-2-(2-morpholin-4-ylethylsulfanyl)-1H-pyrimidin-6-one

5-ethyl-4-methyl-2-(2-morpholin-4-ylethylsulfanyl)-1H-pyrimidin-6-one (PubChem CID 135524380) has the molecular formula C13H21N3O2S and a molecular weight of 283.40 g/mol. Its IUPAC name is 5-ethyl-4-methyl-2-(2-morpholin-4-ylethylsulfanyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-ethyl-4-methyl-2-(2-morpholin-4-ylethylsulfanyl)-1H-pyrimidin-6-one
PubChem CID135524380
Molecular FormulaC13H21N3O2S
Molecular Weight283.40 g/mol
Exact Mass283.14
IUPAC Name5-ethyl-4-methyl-2-(2-morpholin-4-ylethylsulfanyl)-1H-pyrimidin-6-one
SMILESCCc1c(C)nc(SCCN2CCOCC2)[nH]c1=O
InChIInChI=1S/C13H21N3O2S/c1-3-11-10(2)14-13(15-12(11)17)19-9-6-16-4-7-18-8-5-16/h3-9H2,1-2H3,(H,14,15,17)
InChIKeyRHVLMGVSYKBWOF-UHFFFAOYSA-N
XLogP1.07
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-methyl-2-(2-morpholin-4-ylethylsulfanyl)-1H-pyrimidin-6-one?
The IUPAC name of 5-ethyl-4-methyl-2-(2-morpholin-4-ylethylsulfanyl)-1H-pyrimidin-6-one (CID 135524380) is 5-ethyl-4-methyl-2-(2-morpholin-4-ylethylsulfanyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-ethyl-4-methyl-2-(2-morpholin-4-ylethylsulfanyl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-ethyl-4-methyl-2-(2-morpholin-4-ylethylsulfanyl)-1H-pyrimidin-6-one is CCc1c(C)nc(SCCN2CCOCC2)[nH]c1=O.
What is the InChIKey of 5-ethyl-4-methyl-2-(2-morpholin-4-ylethylsulfanyl)-1H-pyrimidin-6-one?
The InChIKey is RHVLMGVSYKBWOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2S/c1-3-11-10(2)14-13(15-12(11)17)19-9-6-16-4-7-18-8-5-16/h3-9H2,1-2H3,(H,14,15,17).
What are the key properties of 5-ethyl-4-methyl-2-(2-morpholin-4-ylethylsulfanyl)-1H-pyrimidin-6-one?
5-ethyl-4-methyl-2-(2-morpholin-4-ylethylsulfanyl)-1H-pyrimidin-6-one has a molecular weight of 283.40 g/mol, XLogP of 1.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-methyl-2-(2-morpholin-4-ylethylsulfanyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 135524380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).