2,6-dimethyl-3-(3-methylsulfanylpropyl)pyrimidin-4-one

C10H16N2OS — CID 104863730

IUPAC2,6-dimethyl-3-(3-methylsulfanylpropyl)pyrimidin-4-one
SMILESCSCCCn1c(C)nc(C)cc1=O
InChIInChI=1S/C10H16N2OS/c1-8-7-10(13)12(9(2)11-8)5-4-6-14-3/h7H,4-6H2,1-3H3
InChIKeyOYHURDIACSWMNJ-UHFFFAOYSA-N
MW212.32 g/mol
LogP1.61
Rot. Bonds4

About 2,6-dimethyl-3-(3-methylsulfanylpropyl)pyrimidin-4-one

2,6-dimethyl-3-(3-methylsulfanylpropyl)pyrimidin-4-one (PubChem CID 104863730) has the molecular formula C10H16N2OS and a molecular weight of 212.32 g/mol. Its IUPAC name is 2,6-dimethyl-3-(3-methylsulfanylpropyl)pyrimidin-4-one.

Molecular Properties

Compound Name2,6-dimethyl-3-(3-methylsulfanylpropyl)pyrimidin-4-one
PubChem CID104863730
Molecular FormulaC10H16N2OS
Molecular Weight212.32 g/mol
Exact Mass212.10
IUPAC Name2,6-dimethyl-3-(3-methylsulfanylpropyl)pyrimidin-4-one
SMILESCSCCCn1c(C)nc(C)cc1=O
InChIInChI=1S/C10H16N2OS/c1-8-7-10(13)12(9(2)11-8)5-4-6-14-3/h7H,4-6H2,1-3H3
InChIKeyOYHURDIACSWMNJ-UHFFFAOYSA-N
XLogP1.61
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

8-methyl-2H,3H,4H,6H-pyrimido[2,1-b][1,3]thiazin-6-one
CID 3900641
2-Methyl-3-(propan-2-ylsulfanylmethyl)-6-(trifluoromethyl)pyrimidin-4-one
CID 162608734
2,6-dimethyl-3-[(Z)-2-sulfanylethenyl]pyrimidin-4-one
CID 122413191
2-(1,4-dimethyl-6-oxopyrimidin-2-yl)sulfanyl-N,N-diethylacetamide
CID 4067051
2-(1,4-dimethyl-6-oxopyrimidin-2-yl)sulfanyl-N,N-di(propan-2-yl)acetamide
CID 42739319
2-(1,4-dimethyl-6-oxopyrimidin-2-yl)sulfanyl-N,N-dipropylacetamide
CID 42739329
2-(1,4-dimethyl-6-oxopyrimidin-2-yl)sulfanyl-N,N-diethylbutanamide
CID 42739462
2-[2-(Dimethylamino)ethylsulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one
CID 78902627
2,6-Dimethyl-3-(2-sulfanylethyl)pyrimidin-4-one
CID 80030662
2,6-Dimethyl-3-[3-methyl-2-(sulfanylmethyl)butyl]pyrimidin-4-one
CID 80030770
2,6-Dimethyl-3-(5-sulfanylpentyl)pyrimidin-4-one
CID 80030995
3-(2,2-Dimethyl-3-sulfanylpropyl)-2,6-dimethylpyrimidin-4-one
CID 80030996

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-3-(3-methylsulfanylpropyl)pyrimidin-4-one?
The IUPAC name of 2,6-dimethyl-3-(3-methylsulfanylpropyl)pyrimidin-4-one (CID 104863730) is 2,6-dimethyl-3-(3-methylsulfanylpropyl)pyrimidin-4-one.
What is the SMILES notation for 2,6-dimethyl-3-(3-methylsulfanylpropyl)pyrimidin-4-one?
The canonical SMILES for 2,6-dimethyl-3-(3-methylsulfanylpropyl)pyrimidin-4-one is CSCCCn1c(C)nc(C)cc1=O.
What is the InChIKey of 2,6-dimethyl-3-(3-methylsulfanylpropyl)pyrimidin-4-one?
The InChIKey is OYHURDIACSWMNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2OS/c1-8-7-10(13)12(9(2)11-8)5-4-6-14-3/h7H,4-6H2,1-3H3.
What are the key properties of 2,6-dimethyl-3-(3-methylsulfanylpropyl)pyrimidin-4-one?
2,6-dimethyl-3-(3-methylsulfanylpropyl)pyrimidin-4-one has a molecular weight of 212.32 g/mol, XLogP of 1.61, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-3-(3-methylsulfanylpropyl)pyrimidin-4-one is sourced from PubChem (CID 104863730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).