3-(ethylsulfanylmethyl)pyrimidin-4-one

C7H10N2OS — CID 130719121

IUPAC3-(ethylsulfanylmethyl)pyrimidin-4-one
SMILESCCSCn1cnccc1=O
InChIInChI=1S/C7H10N2OS/c1-2-11-6-9-5-8-4-3-7(9)10/h3-5H,2,6H2,1H3
InChIKeyQKZSXJFUKXQBQG-UHFFFAOYSA-N
MW170.24 g/mol
LogP0.95
Rot. Bonds3

About 3-(ethylsulfanylmethyl)pyrimidin-4-one

3-(ethylsulfanylmethyl)pyrimidin-4-one (PubChem CID 130719121) has the molecular formula C7H10N2OS and a molecular weight of 170.24 g/mol. Its IUPAC name is 3-(ethylsulfanylmethyl)pyrimidin-4-one.

Molecular Properties

Compound Name3-(ethylsulfanylmethyl)pyrimidin-4-one
PubChem CID130719121
Molecular FormulaC7H10N2OS
Molecular Weight170.24 g/mol
Exact Mass170.05
IUPAC Name3-(ethylsulfanylmethyl)pyrimidin-4-one
SMILESCCSCn1cnccc1=O
InChIInChI=1S/C7H10N2OS/c1-2-11-6-9-5-8-4-3-7(9)10/h3-5H,2,6H2,1H3
InChIKeyQKZSXJFUKXQBQG-UHFFFAOYSA-N
XLogP0.95
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.24
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-Methyl-2-(methylthio)-4(3H)-pyrimidinone
CID 138727
4-Pyrimidinol, 2-(ethylthio)-
CID 249308
2-Methylsulfanyl-3-prop-2-enylpyrimidin-4-one
CID 259152
Mls002694862
CID 259153
1H-4-Pyrimidinone, 1-methyl-2-methylthio-
CID 138728
5H-Thiazolo(3,2-a)pyrimidin-5-one
CID 354784
Pyrimidine, 1,6-dihydro-1-methyl-4-methylthio-6-oxo-
CID 12278854
Pyrimidine, 1.4-dihydro-1-methyl-6-methylthio-4-oxo-
CID 91618501
2-(Ethylthio)-3-methyl-4-pyrimidone
CID 129660839
Pyrimido[2,1-b][1,3]thiazin-6-one
CID 18919072
Methyl-5h-thiazolo[3,2-a]-pyrimidin-5-one
CID 102406333
2-Methyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-7-one
CID 295850

Frequently Asked Questions

What is the IUPAC name of 3-(ethylsulfanylmethyl)pyrimidin-4-one?
The IUPAC name of 3-(ethylsulfanylmethyl)pyrimidin-4-one (CID 130719121) is 3-(ethylsulfanylmethyl)pyrimidin-4-one.
What is the SMILES notation for 3-(ethylsulfanylmethyl)pyrimidin-4-one?
The canonical SMILES for 3-(ethylsulfanylmethyl)pyrimidin-4-one is CCSCn1cnccc1=O.
What is the InChIKey of 3-(ethylsulfanylmethyl)pyrimidin-4-one?
The InChIKey is QKZSXJFUKXQBQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2OS/c1-2-11-6-9-5-8-4-3-7(9)10/h3-5H,2,6H2,1H3.
What are the key properties of 3-(ethylsulfanylmethyl)pyrimidin-4-one?
3-(ethylsulfanylmethyl)pyrimidin-4-one has a molecular weight of 170.24 g/mol, XLogP of 0.95, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylsulfanylmethyl)pyrimidin-4-one is sourced from PubChem (CID 130719121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).