3,6-dimethyl-2-(1-morpholin-4-yl-1-oxopropan-2-yl)sulfanylpyrimidin-4-one

C13H19N3O3S — CID 42739406

IUPAC3,6-dimethyl-2-(1-morpholin-4-yl-1-oxopropan-2-yl)sulfanylpyrimidin-4-one
SMILESCc1cc(=O)n(C)c(SC(C)C(=O)N2CCOCC2)n1
InChIInChI=1S/C13H19N3O3S/c1-9-8-11(17)15(3)13(14-9)20-10(2)12(18)16-4-6-19-7-5-16/h8,10H,4-7H2,1-3H3
InChIKeyQKLZUIRKFPTPMD-UHFFFAOYSA-N
MW297.38 g/mol
LogP0.43
Rot. Bonds3

About 3,6-dimethyl-2-(1-morpholin-4-yl-1-oxopropan-2-yl)sulfanylpyrimidin-4-one

3,6-dimethyl-2-(1-morpholin-4-yl-1-oxopropan-2-yl)sulfanylpyrimidin-4-one (PubChem CID 42739406) has the molecular formula C13H19N3O3S and a molecular weight of 297.38 g/mol. Its IUPAC name is 3,6-dimethyl-2-(1-morpholin-4-yl-1-oxopropan-2-yl)sulfanylpyrimidin-4-one.

Molecular Properties

Compound Name3,6-dimethyl-2-(1-morpholin-4-yl-1-oxopropan-2-yl)sulfanylpyrimidin-4-one
PubChem CID42739406
Molecular FormulaC13H19N3O3S
Molecular Weight297.38 g/mol
Exact Mass297.11
IUPAC Name3,6-dimethyl-2-(1-morpholin-4-yl-1-oxopropan-2-yl)sulfanylpyrimidin-4-one
SMILESCc1cc(=O)n(C)c(SC(C)C(=O)N2CCOCC2)n1
InChIInChI=1S/C13H19N3O3S/c1-9-8-11(17)15(3)13(14-9)20-10(2)12(18)16-4-6-19-7-5-16/h8,10H,4-7H2,1-3H3
InChIKeyQKLZUIRKFPTPMD-UHFFFAOYSA-N
XLogP0.43
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 50.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-{[4-Hydroxy-6-(methoxymethyl)-2-pyrimidinyl]sulfanyl}-1-morpholino-1-ethanone
CID 135511468
6-ethyl-2-((2-morpholino-2-oxoethyl)thio)pyrimidin-4(3H)-one
CID 135561504
7-[(2,6-Dimethyl-4-morpholinyl)methyl]-5-thiazolo[3,2-a]pyrimidinone
CID 2998063
2-(4-Hydroxy-6-propyl-pyrimidin-2-ylsulfanyl)-1-morpholin-4-yl-ethanone
CID 135413053
4-amino-2-(1-morpholin-4-yl-1-oxopropan-2-yl)sulfanyl-1H-pyrimidin-6-one
CID 135877406
1-Ethyl-6-hydroxy-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylpyrimidin-4-one
CID 135501397
7-(Morpholin-4-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 2549305
4-amino-2-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]sulfanyl-1H-pyrimidin-6-one
CID 135874968
6-Methyl-3-(2-morpholino-2-oxoethyl)-1-thia-3a,7-diaza-4-indanone
CID 16867883
6-methyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1H-pyrimidin-4-one
CID 135439027
2-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]sulfanyl-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 135561738
2-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]sulfanyl-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 135561739

Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-2-(1-morpholin-4-yl-1-oxopropan-2-yl)sulfanylpyrimidin-4-one?
The IUPAC name of 3,6-dimethyl-2-(1-morpholin-4-yl-1-oxopropan-2-yl)sulfanylpyrimidin-4-one (CID 42739406) is 3,6-dimethyl-2-(1-morpholin-4-yl-1-oxopropan-2-yl)sulfanylpyrimidin-4-one.
What is the SMILES notation for 3,6-dimethyl-2-(1-morpholin-4-yl-1-oxopropan-2-yl)sulfanylpyrimidin-4-one?
The canonical SMILES for 3,6-dimethyl-2-(1-morpholin-4-yl-1-oxopropan-2-yl)sulfanylpyrimidin-4-one is Cc1cc(=O)n(C)c(SC(C)C(=O)N2CCOCC2)n1.
What is the InChIKey of 3,6-dimethyl-2-(1-morpholin-4-yl-1-oxopropan-2-yl)sulfanylpyrimidin-4-one?
The InChIKey is QKLZUIRKFPTPMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3S/c1-9-8-11(17)15(3)13(14-9)20-10(2)12(18)16-4-6-19-7-5-16/h8,10H,4-7H2,1-3H3.
What are the key properties of 3,6-dimethyl-2-(1-morpholin-4-yl-1-oxopropan-2-yl)sulfanylpyrimidin-4-one?
3,6-dimethyl-2-(1-morpholin-4-yl-1-oxopropan-2-yl)sulfanylpyrimidin-4-one has a molecular weight of 297.38 g/mol, XLogP of 0.43, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-2-(1-morpholin-4-yl-1-oxopropan-2-yl)sulfanylpyrimidin-4-one is sourced from PubChem (CID 42739406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).