9-ethyl-4,7-dimethyl-2-methylsulfanyl-5H-imidazo[5,1-h]pteridin-6-one

C13H15N5OS — CID 19358852

IUPAC9-ethyl-4,7-dimethyl-2-methylsulfanyl-5H-imidazo[5,1-h]pteridin-6-one
SMILESCCc1nc(C)c2c(=O)[nH]c3c(C)nc(SC)nc3n12
InChIInChI=1S/C13H15N5OS/c1-5-8-14-7(3)10-12(19)16-9-6(2)15-13(20-4)17-11(9)18(8)10/h5H2,1-4H3,(H,16,19)
InChIKeyAUJIKDAAVZTRNM-UHFFFAOYSA-N
MW289.36 g/mol
LogP1.87
Rot. Bonds2

About 9-ethyl-4,7-dimethyl-2-methylsulfanyl-5H-imidazo[5,1-h]pteridin-6-one

9-ethyl-4,7-dimethyl-2-methylsulfanyl-5H-imidazo[5,1-h]pteridin-6-one (PubChem CID 19358852) has the molecular formula C13H15N5OS and a molecular weight of 289.36 g/mol. Its IUPAC name is 9-ethyl-4,7-dimethyl-2-methylsulfanyl-5H-imidazo[5,1-h]pteridin-6-one.

Molecular Properties

Compound Name9-ethyl-4,7-dimethyl-2-methylsulfanyl-5H-imidazo[5,1-h]pteridin-6-one
PubChem CID19358852
Molecular FormulaC13H15N5OS
Molecular Weight289.36 g/mol
Exact Mass289.10
IUPAC Name9-ethyl-4,7-dimethyl-2-methylsulfanyl-5H-imidazo[5,1-h]pteridin-6-one
SMILESCCc1nc(C)c2c(=O)[nH]c3c(C)nc(SC)nc3n12
InChIInChI=1S/C13H15N5OS/c1-5-8-14-7(3)10-12(19)16-9-6(2)15-13(20-4)17-11(9)18(8)10/h5H2,1-4H3,(H,16,19)
InChIKeyAUJIKDAAVZTRNM-UHFFFAOYSA-N
XLogP1.87
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(dimethylamino)-9-ethyl-7-methyl-2-methylsulfonyl-5H-imidazo[5,1-h]pteridin-6-one
CID 19358872
4-[2-(diethylamino)ethylamino]-9-ethyl-7-methyl-5H-imidazo[5,1-h]pteridin-6-one
CID 19358863
3-ethyl-5-methyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10-tetraene-7,12-dione
CID 10198727
CID 90048869
CID 90048869
2-(2-ethoxyphenyl)-7-ethyl-5-methyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one
CID 136862825
5,7-diethyl-8-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 94076853
3-ethyl-12-methoxy-5,7-dimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene
CID 24802718
5-methyl-7-(2-methylpropyl)-2-propan-2-yl-3H-imidazo[5,1-f][1,2,4]triazin-4-one
CID 135616759
6-bromo-4-methyl-2-methylsulfanyl-8H-pyrido[2,3-d]pyrimidin-7-one
CID 59258909
12-ethoxy-3-ethyl-5-methyl-8-propyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-7-one
CID 110188847
8-cyclohexyl-3-ethyl-12-methoxy-5-methyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-7-one
CID 10291025
1-(5,6-dimethyl-2-methylsulfanylpyrimidin-4-yl)ethanone;1-(4-ethyl-6-methyl-2-methylsulfanylpyrimidin-5-yl)ethanone
CID 159996571

Frequently Asked Questions

What is the IUPAC name of 9-ethyl-4,7-dimethyl-2-methylsulfanyl-5H-imidazo[5,1-h]pteridin-6-one?
The IUPAC name of 9-ethyl-4,7-dimethyl-2-methylsulfanyl-5H-imidazo[5,1-h]pteridin-6-one (CID 19358852) is 9-ethyl-4,7-dimethyl-2-methylsulfanyl-5H-imidazo[5,1-h]pteridin-6-one.
What is the SMILES notation for 9-ethyl-4,7-dimethyl-2-methylsulfanyl-5H-imidazo[5,1-h]pteridin-6-one?
The canonical SMILES for 9-ethyl-4,7-dimethyl-2-methylsulfanyl-5H-imidazo[5,1-h]pteridin-6-one is CCc1nc(C)c2c(=O)[nH]c3c(C)nc(SC)nc3n12.
What is the InChIKey of 9-ethyl-4,7-dimethyl-2-methylsulfanyl-5H-imidazo[5,1-h]pteridin-6-one?
The InChIKey is AUJIKDAAVZTRNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5OS/c1-5-8-14-7(3)10-12(19)16-9-6(2)15-13(20-4)17-11(9)18(8)10/h5H2,1-4H3,(H,16,19).
What are the key properties of 9-ethyl-4,7-dimethyl-2-methylsulfanyl-5H-imidazo[5,1-h]pteridin-6-one?
9-ethyl-4,7-dimethyl-2-methylsulfanyl-5H-imidazo[5,1-h]pteridin-6-one has a molecular weight of 289.36 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-ethyl-4,7-dimethyl-2-methylsulfanyl-5H-imidazo[5,1-h]pteridin-6-one is sourced from PubChem (CID 19358852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).