8-[(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)diazenyl]-3-methyl-7-propan-2-yl-4,5-dihydropurine-2,6-dione

C15H20N8O5 — CID 156590574

IUPAC8-[(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)diazenyl]-3-methyl-7-propan-2-yl-4,5-dihydropurine-2,6-dione
SMILESCC(C)N1C(/N=N/c2c(O)n(C)c(=O)n(C)c2=O)=NC2C1C(=O)NC(=O)N2C
InChIInChI=1S/C15H20N8O5/c1-6(2)23-8-9(20(3)14(27)17-10(8)24)16-13(23)19-18-7-11(25)21(4)15(28)22(5)12(7)26/h6,8-9,25H,1-5H3,(H,17,24,27)/b19-18+
InChIKeyNIKPFDOYQDYDEN-VHEBQXMUSA-N
MW392.38 g/mol
LogP-1.17
Rot. Bonds2

About 8-[(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)diazenyl]-3-methyl-7-propan-2-yl-4,5-dihydropurine-2,6-dione

8-[(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)diazenyl]-3-methyl-7-propan-2-yl-4,5-dihydropurine-2,6-dione (PubChem CID 156590574) has the molecular formula C15H20N8O5 and a molecular weight of 392.38 g/mol. Its IUPAC name is 8-[(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)diazenyl]-3-methyl-7-propan-2-yl-4,5-dihydropurine-2,6-dione.

Molecular Properties

Compound Name8-[(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)diazenyl]-3-methyl-7-propan-2-yl-4,5-dihydropurine-2,6-dione
PubChem CID156590574
Molecular FormulaC15H20N8O5
Molecular Weight392.38 g/mol
Exact Mass392.16
IUPAC Name8-[(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)diazenyl]-3-methyl-7-propan-2-yl-4,5-dihydropurine-2,6-dione
SMILESCC(C)N1C(/N=N/c2c(O)n(C)c(=O)n(C)c2=O)=NC2C1C(=O)NC(=O)N2C
InChIInChI=1S/C15H20N8O5/c1-6(2)23-8-9(20(3)14(27)17-10(8)24)16-13(23)19-18-7-11(25)21(4)15(28)22(5)12(7)26/h6,8-9,25H,1-5H3,(H,17,24,27)/b19-18+
InChIKeyNIKPFDOYQDYDEN-VHEBQXMUSA-N
XLogP-1.17
TPSA153.96 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.38
LogP ≤ 5-1.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-[(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)diazenyl]-3-methyl-7-propan-2-yl-4,5-dihydropurine-2,6-dione?
The IUPAC name of 8-[(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)diazenyl]-3-methyl-7-propan-2-yl-4,5-dihydropurine-2,6-dione (CID 156590574) is 8-[(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)diazenyl]-3-methyl-7-propan-2-yl-4,5-dihydropurine-2,6-dione.
What is the SMILES notation for 8-[(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)diazenyl]-3-methyl-7-propan-2-yl-4,5-dihydropurine-2,6-dione?
The canonical SMILES for 8-[(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)diazenyl]-3-methyl-7-propan-2-yl-4,5-dihydropurine-2,6-dione is CC(C)N1C(/N=N/c2c(O)n(C)c(=O)n(C)c2=O)=NC2C1C(=O)NC(=O)N2C.
What is the InChIKey of 8-[(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)diazenyl]-3-methyl-7-propan-2-yl-4,5-dihydropurine-2,6-dione?
The InChIKey is NIKPFDOYQDYDEN-VHEBQXMUSA-N. The full InChI is InChI=1S/C15H20N8O5/c1-6(2)23-8-9(20(3)14(27)17-10(8)24)16-13(23)19-18-7-11(25)21(4)15(28)22(5)12(7)26/h6,8-9,25H,1-5H3,(H,17,24,27)/b19-18+.
What are the key properties of 8-[(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)diazenyl]-3-methyl-7-propan-2-yl-4,5-dihydropurine-2,6-dione?
8-[(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)diazenyl]-3-methyl-7-propan-2-yl-4,5-dihydropurine-2,6-dione has a molecular weight of 392.38 g/mol, XLogP of -1.17, 2 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)diazenyl]-3-methyl-7-propan-2-yl-4,5-dihydropurine-2,6-dione is sourced from PubChem (CID 156590574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).