2-(2-methylsulfanylethyl)-2,5,6,7-tetrahydro-1H-imidazo[1,2-a]pyrimidin-3-one

C9H15N3OS — CID 130024148

IUPAC2-(2-methylsulfanylethyl)-2,5,6,7-tetrahydro-1H-imidazo[1,2-a]pyrimidin-3-one
SMILESCSCCC1NC2=NCCCN2C1=O
InChIInChI=1S/C9H15N3OS/c1-14-6-3-7-8(13)12-5-2-4-10-9(12)11-7/h7H,2-6H2,1H3,(H,10,11)
InChIKeyYLEXVXNJQXJVKF-UHFFFAOYSA-N
MW213.31 g/mol
LogP0.30
Rot. Bonds3

About 2-(2-methylsulfanylethyl)-2,5,6,7-tetrahydro-1H-imidazo[1,2-a]pyrimidin-3-one

2-(2-methylsulfanylethyl)-2,5,6,7-tetrahydro-1H-imidazo[1,2-a]pyrimidin-3-one (PubChem CID 130024148) has the molecular formula C9H15N3OS and a molecular weight of 213.31 g/mol. Its IUPAC name is 2-(2-methylsulfanylethyl)-2,5,6,7-tetrahydro-1H-imidazo[1,2-a]pyrimidin-3-one.

Molecular Properties

Compound Name2-(2-methylsulfanylethyl)-2,5,6,7-tetrahydro-1H-imidazo[1,2-a]pyrimidin-3-one
PubChem CID130024148
Molecular FormulaC9H15N3OS
Molecular Weight213.31 g/mol
Exact Mass213.09
IUPAC Name2-(2-methylsulfanylethyl)-2,5,6,7-tetrahydro-1H-imidazo[1,2-a]pyrimidin-3-one
SMILESCSCCC1NC2=NCCCN2C1=O
InChIInChI=1S/C9H15N3OS/c1-14-6-3-7-8(13)12-5-2-4-10-9(12)11-7/h7H,2-6H2,1H3,(H,10,11)
InChIKeyYLEXVXNJQXJVKF-UHFFFAOYSA-N
XLogP0.30
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.31
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(2-methylsulfanylethyl)-2,5-dioxoimidazolidin-1-yl]acetonitrile
CID 82148278
(5S)-5-(2-methylsulfanylethyl)-3-[[(2R)-oxolan-2-yl]methyl]imidazolidine-2,4-dione
CID 7619116
4-amino-5-(2-methylsulfanylethyl)-1,5-dihydroimidazol-2-one
CID 79960449
3-(2-aminoethyl)-5-(2-methylsulfanylethyl)imidazolidine-2,4-dione
CID 82147808
5-(2-methylsulfanylethyl)-3-(piperidin-4-ylmethyl)imidazolidine-2,4-dione
CID 82148838
(5R)-3-[2-(1-methylpyrazol-4-yl)ethyl]-5-(2-methylsulfanylethyl)imidazolidine-2,4-dione
CID 124506209
(6S)-3-cyclohexyl-6-(2-methylsulfanylethyl)piperazine-2,5-dione
CID 167863207
(5S)-3-[2-(4-bromopyrazol-1-yl)ethyl]-5-(2-methylsulfanylethyl)imidazolidine-2,4-dione
CID 95321024
5-(2-methylsulfanylethyl)-3-pent-3-ynylimidazolidine-2,4-dione
CID 86793057
(5S)-3-[2-[(2R)-2-methylmorpholin-4-yl]-2-oxoethyl]-5-(2-methylsulfanylethyl)imidazolidine-2,4-dione
CID 33083226
[4-methyl-2-(2-methylsulfanylethyl)-3-oxo-1,4,8-triazaspiro[4.5]decan-8-yl]sulfanylformic acid
CID 87612728
(3S)-18,31,44,57-tetramethyl-3-(2-methylsulfanylethyl)-2,5,9,14,18,22,27,31,35,40,44,48,53,57,61-pentadecazahexacyclo[60.2.0.010,13.023,26.036,39.049,52]tetrahexaconta-1(62),10(13),23(26),36(39),49(52)-pentaene-4,11,12,24,25,37,38,50,51,63,64-undecone
CID 71467213

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylsulfanylethyl)-2,5,6,7-tetrahydro-1H-imidazo[1,2-a]pyrimidin-3-one?
The IUPAC name of 2-(2-methylsulfanylethyl)-2,5,6,7-tetrahydro-1H-imidazo[1,2-a]pyrimidin-3-one (CID 130024148) is 2-(2-methylsulfanylethyl)-2,5,6,7-tetrahydro-1H-imidazo[1,2-a]pyrimidin-3-one.
What is the SMILES notation for 2-(2-methylsulfanylethyl)-2,5,6,7-tetrahydro-1H-imidazo[1,2-a]pyrimidin-3-one?
The canonical SMILES for 2-(2-methylsulfanylethyl)-2,5,6,7-tetrahydro-1H-imidazo[1,2-a]pyrimidin-3-one is CSCCC1NC2=NCCCN2C1=O.
What is the InChIKey of 2-(2-methylsulfanylethyl)-2,5,6,7-tetrahydro-1H-imidazo[1,2-a]pyrimidin-3-one?
The InChIKey is YLEXVXNJQXJVKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3OS/c1-14-6-3-7-8(13)12-5-2-4-10-9(12)11-7/h7H,2-6H2,1H3,(H,10,11).
What are the key properties of 2-(2-methylsulfanylethyl)-2,5,6,7-tetrahydro-1H-imidazo[1,2-a]pyrimidin-3-one?
2-(2-methylsulfanylethyl)-2,5,6,7-tetrahydro-1H-imidazo[1,2-a]pyrimidin-3-one has a molecular weight of 213.31 g/mol, XLogP of 0.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylsulfanylethyl)-2,5,6,7-tetrahydro-1H-imidazo[1,2-a]pyrimidin-3-one is sourced from PubChem (CID 130024148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).