5-cyclopentyl-4-hydroxy-2-(4-methylthiomorpholin-3-yl)-1H-pyrimidin-6-one

C14H21N3O2S — CID 103595104

IUPAC5-cyclopentyl-4-hydroxy-2-(4-methylthiomorpholin-3-yl)-1H-pyrimidin-6-one
SMILESCN1CCSCC1c1nc(O)c(C2CCCC2)c(=O)[nH]1
InChIInChI=1S/C14H21N3O2S/c1-17-6-7-20-8-10(17)12-15-13(18)11(14(19)16-12)9-4-2-3-5-9/h9-10H,2-8H2,1H3,(H2,15,16,18,19)
InChIKeyGKGUJCQWWWMWIN-UHFFFAOYSA-N
MW295.41 g/mol
LogP1.85
Rot. Bonds2

About 5-cyclopentyl-4-hydroxy-2-(4-methylthiomorpholin-3-yl)-1H-pyrimidin-6-one

5-cyclopentyl-4-hydroxy-2-(4-methylthiomorpholin-3-yl)-1H-pyrimidin-6-one (PubChem CID 103595104) has the molecular formula C14H21N3O2S and a molecular weight of 295.41 g/mol. Its IUPAC name is 5-cyclopentyl-4-hydroxy-2-(4-methylthiomorpholin-3-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-cyclopentyl-4-hydroxy-2-(4-methylthiomorpholin-3-yl)-1H-pyrimidin-6-one
PubChem CID103595104
Molecular FormulaC14H21N3O2S
Molecular Weight295.41 g/mol
Exact Mass295.14
IUPAC Name5-cyclopentyl-4-hydroxy-2-(4-methylthiomorpholin-3-yl)-1H-pyrimidin-6-one
SMILESCN1CCSCC1c1nc(O)c(C2CCCC2)c(=O)[nH]1
InChIInChI=1S/C14H21N3O2S/c1-17-6-7-20-8-10(17)12-15-13(18)11(14(19)16-12)9-4-2-3-5-9/h9-10H,2-8H2,1H3,(H2,15,16,18,19)
InChIKeyGKGUJCQWWWMWIN-UHFFFAOYSA-N
XLogP1.85
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-cyclopentyl-2-(5,6-dimethyl-1,4-dithian-2-yl)-4-hydroxy-1H-pyrimidin-6-one
CID 103344653
4-hydroxy-2-(4-methylthiomorpholin-3-yl)-5-propyl-1H-pyrimidin-6-one
CID 103595081
4-hydroxy-2-(4-methylthiomorpholin-3-yl)-5-propan-2-yl-1H-pyrimidin-6-one
CID 103595082
5-cyclopentyl-4-hydroxy-2-(propan-2-ylsulfanylmethyl)-1H-pyrimidin-6-one
CID 112569320
2-(butan-2-ylsulfanylmethyl)-5-cyclopentyl-4-hydroxy-1H-pyrimidin-6-one
CID 112569327
5-cyclopentyl-4-hydroxy-2-(thian-2-yl)-1H-pyrimidin-6-one
CID 112569330
5-cyclopentyl-2-(ethylsulfanylmethyl)-4-hydroxy-1H-pyrimidin-6-one
CID 112569337
2-(tert-butylsulfanylmethyl)-5-cyclopentyl-4-hydroxy-1H-pyrimidin-6-one
CID 112569338
5-cyclopentyl-4-hydroxy-2-(thiolan-2-yl)-1H-pyrimidin-6-one
CID 112569368
5-cyclopentyl-4-hydroxy-2-(propylsulfanylmethyl)-1H-pyrimidin-6-one
CID 112569386
5-cyclopentyl-4-hydroxy-2-(2-methylpropylsulfanylmethyl)-1H-pyrimidin-6-one
CID 112569387
5-cyclopentyl-2-(1,4-dithian-2-yl)-4-hydroxy-1H-pyrimidin-6-one
CID 112569389

Frequently Asked Questions

What is the IUPAC name of 5-cyclopentyl-4-hydroxy-2-(4-methylthiomorpholin-3-yl)-1H-pyrimidin-6-one?
The IUPAC name of 5-cyclopentyl-4-hydroxy-2-(4-methylthiomorpholin-3-yl)-1H-pyrimidin-6-one (CID 103595104) is 5-cyclopentyl-4-hydroxy-2-(4-methylthiomorpholin-3-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-cyclopentyl-4-hydroxy-2-(4-methylthiomorpholin-3-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-cyclopentyl-4-hydroxy-2-(4-methylthiomorpholin-3-yl)-1H-pyrimidin-6-one is CN1CCSCC1c1nc(O)c(C2CCCC2)c(=O)[nH]1.
What is the InChIKey of 5-cyclopentyl-4-hydroxy-2-(4-methylthiomorpholin-3-yl)-1H-pyrimidin-6-one?
The InChIKey is GKGUJCQWWWMWIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2S/c1-17-6-7-20-8-10(17)12-15-13(18)11(14(19)16-12)9-4-2-3-5-9/h9-10H,2-8H2,1H3,(H2,15,16,18,19).
What are the key properties of 5-cyclopentyl-4-hydroxy-2-(4-methylthiomorpholin-3-yl)-1H-pyrimidin-6-one?
5-cyclopentyl-4-hydroxy-2-(4-methylthiomorpholin-3-yl)-1H-pyrimidin-6-one has a molecular weight of 295.41 g/mol, XLogP of 1.85, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopentyl-4-hydroxy-2-(4-methylthiomorpholin-3-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 103595104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).