2-[2-(diethylamino)ethylsulfanyl]-4-methyl-1H-pyrimidin-6-one

C11H19N3OS — CID 135951885

IUPAC2-[2-(diethylamino)ethylsulfanyl]-4-methyl-1H-pyrimidin-6-one
SMILESCCN(CC)CCSc1nc(C)cc(=O)[nH]1
InChIInChI=1S/C11H19N3OS/c1-4-14(5-2)6-7-16-11-12-9(3)8-10(15)13-11/h8H,4-7H2,1-3H3,(H,12,13,15)
InChIKeyUXYOMSVQHJRORZ-UHFFFAOYSA-N
MW241.36 g/mol
LogP1.51
Rot. Bonds6

About 2-[2-(diethylamino)ethylsulfanyl]-4-methyl-1H-pyrimidin-6-one

2-[2-(diethylamino)ethylsulfanyl]-4-methyl-1H-pyrimidin-6-one (PubChem CID 135951885) has the molecular formula C11H19N3OS and a molecular weight of 241.36 g/mol. Its IUPAC name is 2-[2-(diethylamino)ethylsulfanyl]-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[2-(diethylamino)ethylsulfanyl]-4-methyl-1H-pyrimidin-6-one
PubChem CID135951885
Molecular FormulaC11H19N3OS
Molecular Weight241.36 g/mol
Exact Mass241.12
IUPAC Name2-[2-(diethylamino)ethylsulfanyl]-4-methyl-1H-pyrimidin-6-one
SMILESCCN(CC)CCSc1nc(C)cc(=O)[nH]1
InChIInChI=1S/C11H19N3OS/c1-4-14(5-2)6-7-16-11-12-9(3)8-10(15)13-11/h8H,4-7H2,1-3H3,(H,12,13,15)
InChIKeyUXYOMSVQHJRORZ-UHFFFAOYSA-N
XLogP1.51
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-Hydroxy-6-methyl-pyrimidin-2-ylsulfanyl)-1-piperidin-1-yl-ethanone
CID 135421456
2-(4-Methyl-6-oxo-1-prop-2-enylpyrimidin-2-yl)sulfanylacetamide
CID 974720
2-(4-Hydroxy-6-methylpyrimidin-2-ylthio)-1-pyrrolidinylethan-1-one
CID 135443943
2-(Hexylthio)-6-methylpyrimidin-4(1H)-one
CID 135412234
4-Pyrimidinol, 2-(ethylthio)-6-methyl-
CID 135408761
6-Methyl-2-(propylthio)pyrimidin-4-ol
CID 135411363
N-cyclohexyl-N-ethyl-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 135467501
ST025749
CID 135422870
4(1H)-Pyrimidinone, 6-methyl-2-((2-(1-piperidinyl)ethyl)thio)-, dihydrochloride
CID 135489573
4(1H)-Pyrimidinone, 2-((2-(diethylamino)ethyl)thio)-6-methyl-, dihydrochloride
CID 135951884
2-{[2-(1-azepanyl)-2-oxoethyl]thio}-6-methyl-4(3H)-pyrimidinone
CID 135415391
4-methyl-2-(2-oxopropylsulfanyl)-1H-pyrimidin-6-one
CID 135462117

Frequently Asked Questions

What is the IUPAC name of 2-[2-(diethylamino)ethylsulfanyl]-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[2-(diethylamino)ethylsulfanyl]-4-methyl-1H-pyrimidin-6-one (CID 135951885) is 2-[2-(diethylamino)ethylsulfanyl]-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[2-(diethylamino)ethylsulfanyl]-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[2-(diethylamino)ethylsulfanyl]-4-methyl-1H-pyrimidin-6-one is CCN(CC)CCSc1nc(C)cc(=O)[nH]1.
What is the InChIKey of 2-[2-(diethylamino)ethylsulfanyl]-4-methyl-1H-pyrimidin-6-one?
The InChIKey is UXYOMSVQHJRORZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3OS/c1-4-14(5-2)6-7-16-11-12-9(3)8-10(15)13-11/h8H,4-7H2,1-3H3,(H,12,13,15).
What are the key properties of 2-[2-(diethylamino)ethylsulfanyl]-4-methyl-1H-pyrimidin-6-one?
2-[2-(diethylamino)ethylsulfanyl]-4-methyl-1H-pyrimidin-6-one has a molecular weight of 241.36 g/mol, XLogP of 1.51, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(diethylamino)ethylsulfanyl]-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135951885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).