4-(2,6-dimethylthiomorpholin-4-yl)-1H-pyrimidin-6-one

C10H15N3OS — CID 136957901

IUPAC4-(2,6-dimethylthiomorpholin-4-yl)-1H-pyrimidin-6-one
SMILESCC1CN(c2cc(=O)[nH]cn2)CC(C)S1
InChIInChI=1S/C10H15N3OS/c1-7-4-13(5-8(2)15-7)9-3-10(14)12-6-11-9/h3,6-8H,4-5H2,1-2H3,(H,11,12,14)
InChIKeyRKESNMWQXICDHP-UHFFFAOYSA-N
MW225.32 g/mol
LogP1.10
Rot. Bonds1

About 4-(2,6-dimethylthiomorpholin-4-yl)-1H-pyrimidin-6-one

4-(2,6-dimethylthiomorpholin-4-yl)-1H-pyrimidin-6-one (PubChem CID 136957901) has the molecular formula C10H15N3OS and a molecular weight of 225.32 g/mol. Its IUPAC name is 4-(2,6-dimethylthiomorpholin-4-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(2,6-dimethylthiomorpholin-4-yl)-1H-pyrimidin-6-one
PubChem CID136957901
Molecular FormulaC10H15N3OS
Molecular Weight225.32 g/mol
Exact Mass225.09
IUPAC Name4-(2,6-dimethylthiomorpholin-4-yl)-1H-pyrimidin-6-one
SMILESCC1CN(c2cc(=O)[nH]cn2)CC(C)S1
InChIInChI=1S/C10H15N3OS/c1-7-4-13(5-8(2)15-7)9-3-10(14)12-6-11-9/h3,6-8H,4-5H2,1-2H3,(H,11,12,14)
InChIKeyRKESNMWQXICDHP-UHFFFAOYSA-N
XLogP1.10
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.32
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[2-(Diethylamino)ethylthio]-3-hydropyrimidin-4-one
CID 3530087
2-thiomorpholin-4-yl-1H-pyrimidin-6-one
CID 13340658
6-amino-2-thiomorpholin-4-ylpyrimidin-4(3H)-one
CID 136159799
2-amino-6-{4-[(ethylthio)acetyl]piperazin-1-yl}pyrimidin-4(3H)-one
CID 136663715
4-(2-prop-2-enylsulfanylethylamino)-1H-pyrimidin-6-one
CID 136842323
4-(2-prop-2-ynylsulfanylethylamino)-1H-pyrimidin-6-one
CID 136842334
4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1H-pyrimidin-6-one
CID 136865947
4-(2-thiomorpholin-4-ylethylamino)-1H-pyrimidin-6-one
CID 136876841
2-ethyl-4-(2-thiomorpholin-4-ylethylamino)-1H-pyrimidin-6-one
CID 136876843
4-(2-methylsulfinylpropylamino)-1H-pyrimidin-6-one
CID 136957215
4-(2-ethylsulfinylethylamino)-1H-pyrimidin-6-one
CID 136957265
4-(1,1-dioxo-1,4-thiazinan-4-yl)-1H-pyrimidin-6-one
CID 136957519

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dimethylthiomorpholin-4-yl)-1H-pyrimidin-6-one?
The IUPAC name of 4-(2,6-dimethylthiomorpholin-4-yl)-1H-pyrimidin-6-one (CID 136957901) is 4-(2,6-dimethylthiomorpholin-4-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(2,6-dimethylthiomorpholin-4-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-(2,6-dimethylthiomorpholin-4-yl)-1H-pyrimidin-6-one is CC1CN(c2cc(=O)[nH]cn2)CC(C)S1.
What is the InChIKey of 4-(2,6-dimethylthiomorpholin-4-yl)-1H-pyrimidin-6-one?
The InChIKey is RKESNMWQXICDHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3OS/c1-7-4-13(5-8(2)15-7)9-3-10(14)12-6-11-9/h3,6-8H,4-5H2,1-2H3,(H,11,12,14).
What are the key properties of 4-(2,6-dimethylthiomorpholin-4-yl)-1H-pyrimidin-6-one?
4-(2,6-dimethylthiomorpholin-4-yl)-1H-pyrimidin-6-one has a molecular weight of 225.32 g/mol, XLogP of 1.10, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dimethylthiomorpholin-4-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136957901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).