5-amino-2-(4,7-dimethyl-1,3-dioxo-4a,9a-dihydropurino[7,8-a]imidazol-6-yl)-5-oxopentanoic acid

C14H18N6O5 — CID 75118150

IUPAC5-amino-2-(4,7-dimethyl-1,3-dioxo-4a,9a-dihydropurino[7,8-a]imidazol-6-yl)-5-oxopentanoic acid
SMILESCC1=CN2C(=NC3C2C(=O)NC(=O)N3C)N1C(CCC(N)=O)C(=O)O
InChIInChI=1S/C14H18N6O5/c1-6-5-19-9-10(18(2)14(25)17-11(9)22)16-13(19)20(6)7(12(23)24)3-4-8(15)21/h5,7,9-10H,3-4H2,1-2H3,(H2,15,21)(H,23,24)(H,17,22,25)
InChIKeyXANKKEOCPGENEH-UHFFFAOYSA-N
MW350.34 g/mol
LogP-1.57
Rot. Bonds5

About 5-amino-2-(4,7-dimethyl-1,3-dioxo-4a,9a-dihydropurino[7,8-a]imidazol-6-yl)-5-oxopentanoic acid

5-amino-2-(4,7-dimethyl-1,3-dioxo-4a,9a-dihydropurino[7,8-a]imidazol-6-yl)-5-oxopentanoic acid (PubChem CID 75118150) has the molecular formula C14H18N6O5 and a molecular weight of 350.34 g/mol. Its IUPAC name is 5-amino-2-(4,7-dimethyl-1,3-dioxo-4a,9a-dihydropurino[7,8-a]imidazol-6-yl)-5-oxopentanoic acid.

Molecular Properties

Compound Name5-amino-2-(4,7-dimethyl-1,3-dioxo-4a,9a-dihydropurino[7,8-a]imidazol-6-yl)-5-oxopentanoic acid
PubChem CID75118150
Molecular FormulaC14H18N6O5
Molecular Weight350.34 g/mol
Exact Mass350.13
IUPAC Name5-amino-2-(4,7-dimethyl-1,3-dioxo-4a,9a-dihydropurino[7,8-a]imidazol-6-yl)-5-oxopentanoic acid
SMILESCC1=CN2C(=NC3C2C(=O)NC(=O)N3C)N1C(CCC(N)=O)C(=O)O
InChIInChI=1S/C14H18N6O5/c1-6-5-19-9-10(18(2)14(25)17-11(9)22)16-13(19)20(6)7(12(23)24)3-4-8(15)21/h5,7,9-10H,3-4H2,1-2H3,(H2,15,21)(H,23,24)(H,17,22,25)
InChIKeyXANKKEOCPGENEH-UHFFFAOYSA-N
XLogP-1.57
TPSA148.64 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.34
LogP ≤ 5-1.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 5-amino-2-(4,7-dimethyl-1,3-dioxo-4a,9a-dihydropurino[7,8-a]imidazol-6-yl)-5-oxopentanoic acid with MolForge

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Related Compounds

2-(4,7-Dimethyl-1,3-dioxo-4a,9a-dihydropurino[7,8-a]imidazol-6-yl)acetic acid
CID 74776503
4-(4,7-Dimethyl-1,3-dioxo-4a,9a-dihydropurino[7,8-a]imidazol-6-yl)butanoic acid
CID 75118149
2-(4,7-Dimethyl-1,3-dioxo-4a,9a-dihydropurino[7,8-a]imidazol-6-yl)-3-methylbutanoic acid
CID 75271787

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(4,7-dimethyl-1,3-dioxo-4a,9a-dihydropurino[7,8-a]imidazol-6-yl)-5-oxopentanoic acid?
The IUPAC name of 5-amino-2-(4,7-dimethyl-1,3-dioxo-4a,9a-dihydropurino[7,8-a]imidazol-6-yl)-5-oxopentanoic acid (CID 75118150) is 5-amino-2-(4,7-dimethyl-1,3-dioxo-4a,9a-dihydropurino[7,8-a]imidazol-6-yl)-5-oxopentanoic acid.
What is the SMILES notation for 5-amino-2-(4,7-dimethyl-1,3-dioxo-4a,9a-dihydropurino[7,8-a]imidazol-6-yl)-5-oxopentanoic acid?
The canonical SMILES for 5-amino-2-(4,7-dimethyl-1,3-dioxo-4a,9a-dihydropurino[7,8-a]imidazol-6-yl)-5-oxopentanoic acid is CC1=CN2C(=NC3C2C(=O)NC(=O)N3C)N1C(CCC(N)=O)C(=O)O.
What is the InChIKey of 5-amino-2-(4,7-dimethyl-1,3-dioxo-4a,9a-dihydropurino[7,8-a]imidazol-6-yl)-5-oxopentanoic acid?
The InChIKey is XANKKEOCPGENEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6O5/c1-6-5-19-9-10(18(2)14(25)17-11(9)22)16-13(19)20(6)7(12(23)24)3-4-8(15)21/h5,7,9-10H,3-4H2,1-2H3,(H2,15,21)(H,23,24)(H,17,22,25).
What are the key properties of 5-amino-2-(4,7-dimethyl-1,3-dioxo-4a,9a-dihydropurino[7,8-a]imidazol-6-yl)-5-oxopentanoic acid?
5-amino-2-(4,7-dimethyl-1,3-dioxo-4a,9a-dihydropurino[7,8-a]imidazol-6-yl)-5-oxopentanoic acid has a molecular weight of 350.34 g/mol, XLogP of -1.57, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(4,7-dimethyl-1,3-dioxo-4a,9a-dihydropurino[7,8-a]imidazol-6-yl)-5-oxopentanoic acid is sourced from PubChem (CID 75118150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).