5-(2-hydroxyethyl)-4-methyl-2-thiomorpholin-4-yl-1H-pyrimidin-6-one

C11H17N3O2S — CID 136741023

IUPAC5-(2-hydroxyethyl)-4-methyl-2-thiomorpholin-4-yl-1H-pyrimidin-6-one
SMILESCc1nc(N2CCSCC2)[nH]c(=O)c1CCO
InChIInChI=1S/C11H17N3O2S/c1-8-9(2-5-15)10(16)13-11(12-8)14-3-6-17-7-4-14/h15H,2-7H2,1H3,(H,12,13,16)
InChIKeyFJGQUJNWELUNSM-UHFFFAOYSA-N
MW255.34 g/mol
LogP0.17
Rot. Bonds3

About 5-(2-hydroxyethyl)-4-methyl-2-thiomorpholin-4-yl-1H-pyrimidin-6-one

5-(2-hydroxyethyl)-4-methyl-2-thiomorpholin-4-yl-1H-pyrimidin-6-one (PubChem CID 136741023) has the molecular formula C11H17N3O2S and a molecular weight of 255.34 g/mol. Its IUPAC name is 5-(2-hydroxyethyl)-4-methyl-2-thiomorpholin-4-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-(2-hydroxyethyl)-4-methyl-2-thiomorpholin-4-yl-1H-pyrimidin-6-one
PubChem CID136741023
Molecular FormulaC11H17N3O2S
Molecular Weight255.34 g/mol
Exact Mass255.10
IUPAC Name5-(2-hydroxyethyl)-4-methyl-2-thiomorpholin-4-yl-1H-pyrimidin-6-one
SMILESCc1nc(N2CCSCC2)[nH]c(=O)c1CCO
InChIInChI=1S/C11H17N3O2S/c1-8-9(2-5-15)10(16)13-11(12-8)14-3-6-17-7-4-14/h15H,2-7H2,1H3,(H,12,13,16)
InChIKeyFJGQUJNWELUNSM-UHFFFAOYSA-N
XLogP0.17
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2-hydroxyethyl)-4-methyl-2-(4-methylthiomorpholin-3-yl)-1H-pyrimidin-6-one
CID 136982231
2-[4-(2-hydroxyethyl)piperazin-1-yl]-4-methyl-5-(3-methylbutyl)-1H-pyrimidin-6-one
CID 135571633
5-butyl-2-(4-ethylpiperazin-1-yl)-4-methyl-1H-pyrimidin-6-one
CID 135491325
4-methyl-2-morpholin-4-yl-5-pentyl-1H-pyrimidin-6-one
CID 135462710
4-methyl-5-(2-methylprop-2-enyl)-2-pyrrolidin-1-yl-1H-pyrimidin-6-one
CID 135473139
2-methyl-2-[methyl-[3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)propanoyl]amino]propanoic acid
CID 136990446
N-methyl-3-(4-methyl-6-oxo-2-pyrrolidin-1-yl-1H-pyrimidin-5-yl)-N-phenylpropanamide
CID 155233546
5-[3-(azepan-1-yl)-3-oxopropyl]-4-methyl-2-morpholin-4-yl-1H-pyrimidin-6-one
CID 137288209
2-(dimethylamino)-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one
CID 135736976
5-ethyl-2-(4-ethylsulfonylpiperazin-1-yl)-4-methyl-1H-pyrimidin-6-one
CID 135515954
2-[butan-2-yl-[3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)propanoyl]amino]acetic acid
CID 137108633
2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-4-methyl-5-[(4-methylphenyl)methyl]-1H-pyrimidin-6-one
CID 135571636

Frequently Asked Questions

What is the IUPAC name of 5-(2-hydroxyethyl)-4-methyl-2-thiomorpholin-4-yl-1H-pyrimidin-6-one?
The IUPAC name of 5-(2-hydroxyethyl)-4-methyl-2-thiomorpholin-4-yl-1H-pyrimidin-6-one (CID 136741023) is 5-(2-hydroxyethyl)-4-methyl-2-thiomorpholin-4-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-(2-hydroxyethyl)-4-methyl-2-thiomorpholin-4-yl-1H-pyrimidin-6-one?
The canonical SMILES for 5-(2-hydroxyethyl)-4-methyl-2-thiomorpholin-4-yl-1H-pyrimidin-6-one is Cc1nc(N2CCSCC2)[nH]c(=O)c1CCO.
What is the InChIKey of 5-(2-hydroxyethyl)-4-methyl-2-thiomorpholin-4-yl-1H-pyrimidin-6-one?
The InChIKey is FJGQUJNWELUNSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2S/c1-8-9(2-5-15)10(16)13-11(12-8)14-3-6-17-7-4-14/h15H,2-7H2,1H3,(H,12,13,16).
What are the key properties of 5-(2-hydroxyethyl)-4-methyl-2-thiomorpholin-4-yl-1H-pyrimidin-6-one?
5-(2-hydroxyethyl)-4-methyl-2-thiomorpholin-4-yl-1H-pyrimidin-6-one has a molecular weight of 255.34 g/mol, XLogP of 0.17, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-hydroxyethyl)-4-methyl-2-thiomorpholin-4-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 136741023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).