9-ethyl-4-(2-ethylimidazol-1-yl)-5H-imidazo[5,1-h]pteridin-6-one

C15H15N7O — CID 15076579

IUPAC9-ethyl-4-(2-ethylimidazol-1-yl)-5H-imidazo[5,1-h]pteridin-6-one
SMILESCCc1nccn1-c1ncnc2c1[nH]c(=O)c1cnc(CC)n12
InChIInChI=1S/C15H15N7O/c1-3-10-16-5-6-21(10)13-12-14(19-8-18-13)22-9(15(23)20-12)7-17-11(22)4-2/h5-8H,3-4H2,1-2H3,(H,20,23)
InChIKeyPJUFIDPNOOGPLT-UHFFFAOYSA-N
MW309.33 g/mol
LogP1.28
Rot. Bonds3

About 9-ethyl-4-(2-ethylimidazol-1-yl)-5H-imidazo[5,1-h]pteridin-6-one

9-ethyl-4-(2-ethylimidazol-1-yl)-5H-imidazo[5,1-h]pteridin-6-one (PubChem CID 15076579) has the molecular formula C15H15N7O and a molecular weight of 309.33 g/mol. Its IUPAC name is 9-ethyl-4-(2-ethylimidazol-1-yl)-5H-imidazo[5,1-h]pteridin-6-one.

Molecular Properties

Compound Name9-ethyl-4-(2-ethylimidazol-1-yl)-5H-imidazo[5,1-h]pteridin-6-one
PubChem CID15076579
Molecular FormulaC15H15N7O
Molecular Weight309.33 g/mol
Exact Mass309.13
IUPAC Name9-ethyl-4-(2-ethylimidazol-1-yl)-5H-imidazo[5,1-h]pteridin-6-one
SMILESCCc1nccn1-c1ncnc2c1[nH]c(=O)c1cnc(CC)n12
InChIInChI=1S/C15H15N7O/c1-3-10-16-5-6-21(10)13-12-14(19-8-18-13)22-9(15(23)20-12)7-17-11(22)4-2/h5-8H,3-4H2,1-2H3,(H,20,23)
InChIKeyPJUFIDPNOOGPLT-UHFFFAOYSA-N
XLogP1.28
TPSA93.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-tert-butyl-8-(4-pyrimidin-2-ylpiperazin-1-yl)imidazo[1,2-a]pyrazine-6-carboxamide
CID 44415532
6-chloro-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)imidazo[1,2-a]pyrimidine-2-carboxamide
CID 56751513
Imidazo[1,2-a]pyrazin-2-yl-(4-methylpiperazin-1-yl)methanone
CID 57397738
Imidazo[1,2-a]pyrimidin-2-yl-[3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]methanone
CID 72143150
[3-(2-Ethylimidazol-1-yl)piperidin-1-yl]-imidazo[1,2-a]pyrimidin-2-ylmethanone
CID 72143175
N-(2,8-dimethylimidazo[1,2-a]pyrazin-6-yl)-5-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrazine-2-carboxamide
CID 166507966
N-[2-(2-methyl-1H-imidazol-1-yl)pyrimidin-5-yl]pyrazine-2-carboxamide
CID 71789898
8-(2-Aminopurin-9-yl)-1,3,7-trimethylpurine-2,6-dione
CID 57214631
Pyrimido[2,1-f]purinedione
CID 70512426
N-(2-((6-(4,5-dimethyl-1H-imidazol-1-yl)pyrimidin-4-yl)amino)ethyl)pyrazine-2-carboxamide
CID 56921398
N-((4-(dimethylamino)pyrimidin-2-yl)methyl)pyrazine-2-carboxamide
CID 72718242
3-methyl-4H-imidazo[1,2-a]purin-9-one
CID 11528483

Frequently Asked Questions

What is the IUPAC name of 9-ethyl-4-(2-ethylimidazol-1-yl)-5H-imidazo[5,1-h]pteridin-6-one?
The IUPAC name of 9-ethyl-4-(2-ethylimidazol-1-yl)-5H-imidazo[5,1-h]pteridin-6-one (CID 15076579) is 9-ethyl-4-(2-ethylimidazol-1-yl)-5H-imidazo[5,1-h]pteridin-6-one.
What is the SMILES notation for 9-ethyl-4-(2-ethylimidazol-1-yl)-5H-imidazo[5,1-h]pteridin-6-one?
The canonical SMILES for 9-ethyl-4-(2-ethylimidazol-1-yl)-5H-imidazo[5,1-h]pteridin-6-one is CCc1nccn1-c1ncnc2c1[nH]c(=O)c1cnc(CC)n12.
What is the InChIKey of 9-ethyl-4-(2-ethylimidazol-1-yl)-5H-imidazo[5,1-h]pteridin-6-one?
The InChIKey is PJUFIDPNOOGPLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N7O/c1-3-10-16-5-6-21(10)13-12-14(19-8-18-13)22-9(15(23)20-12)7-17-11(22)4-2/h5-8H,3-4H2,1-2H3,(H,20,23).
What are the key properties of 9-ethyl-4-(2-ethylimidazol-1-yl)-5H-imidazo[5,1-h]pteridin-6-one?
9-ethyl-4-(2-ethylimidazol-1-yl)-5H-imidazo[5,1-h]pteridin-6-one has a molecular weight of 309.33 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-ethyl-4-(2-ethylimidazol-1-yl)-5H-imidazo[5,1-h]pteridin-6-one is sourced from PubChem (CID 15076579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).