8-[(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)diazenyl]-3,7-dimethyl-1-prop-2-enyl-5H-purin-7-ium-2,6-dione

C14H15N8O5+ — CID 156593277

IUPAC8-[(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)diazenyl]-3,7-dimethyl-1-prop-2-enyl-5H-purin-7-ium-2,6-dione
SMILESC=CCN1C(=O)C2C(=NC(/N=N/c3c(O)[nH]c(=O)[nH]c3=O)=[N+]2C)N(C)C1=O
InChIInChI=1S/C14H14N8O5/c1-4-5-22-11(25)7-8(21(3)14(22)27)15-12(20(7)2)19-18-6-9(23)16-13(26)17-10(6)24/h4,7H,1,5H2,2-3H3,(H2,16,17,23,24,26)/p+1
InChIKeyLNIQFUBFRZHERG-UHFFFAOYSA-O
MW375.33 g/mol
LogP-1.29
Rot. Bonds3

About 8-[(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)diazenyl]-3,7-dimethyl-1-prop-2-enyl-5H-purin-7-ium-2,6-dione

8-[(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)diazenyl]-3,7-dimethyl-1-prop-2-enyl-5H-purin-7-ium-2,6-dione (PubChem CID 156593277) has the molecular formula C14H15N8O5+ and a molecular weight of 375.33 g/mol. Its IUPAC name is 8-[(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)diazenyl]-3,7-dimethyl-1-prop-2-enyl-5H-purin-7-ium-2,6-dione.

Molecular Properties

Compound Name8-[(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)diazenyl]-3,7-dimethyl-1-prop-2-enyl-5H-purin-7-ium-2,6-dione
PubChem CID156593277
Molecular FormulaC14H15N8O5+
Molecular Weight375.33 g/mol
Exact Mass375.12
IUPAC Name8-[(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)diazenyl]-3,7-dimethyl-1-prop-2-enyl-5H-purin-7-ium-2,6-dione
SMILESC=CCN1C(=O)C2C(=NC(/N=N/c3c(O)[nH]c(=O)[nH]c3=O)=[N+]2C)N(C)C1=O
InChIInChI=1S/C14H14N8O5/c1-4-5-22-11(25)7-8(21(3)14(22)27)15-12(20(7)2)19-18-6-9(23)16-13(26)17-10(6)24/h4,7H,1,5H2,2-3H3,(H2,16,17,23,24,26)/p+1
InChIKeyLNIQFUBFRZHERG-UHFFFAOYSA-O
XLogP-1.29
TPSA166.66 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.33
LogP ≤ 5-1.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 8-[(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)diazenyl]-3,7-dimethyl-1-prop-2-enyl-5H-purin-7-ium-2,6-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-[(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)diazenyl]-1,3,7-trimethyl-5H-purin-7-ium-2,6-dione
CID 137288191
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
8-[(4-Hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)diazenyl]-3,7-dimethyl-4,5-dihydropurine-2,6-dione
CID 156590643
7-butyl-8-[(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)diazenyl]-3-methyl-4,5-dihydropurine-2,6-dione
CID 156593104

Frequently Asked Questions

What is the IUPAC name of 8-[(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)diazenyl]-3,7-dimethyl-1-prop-2-enyl-5H-purin-7-ium-2,6-dione?
The IUPAC name of 8-[(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)diazenyl]-3,7-dimethyl-1-prop-2-enyl-5H-purin-7-ium-2,6-dione (CID 156593277) is 8-[(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)diazenyl]-3,7-dimethyl-1-prop-2-enyl-5H-purin-7-ium-2,6-dione.
What is the SMILES notation for 8-[(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)diazenyl]-3,7-dimethyl-1-prop-2-enyl-5H-purin-7-ium-2,6-dione?
The canonical SMILES for 8-[(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)diazenyl]-3,7-dimethyl-1-prop-2-enyl-5H-purin-7-ium-2,6-dione is C=CCN1C(=O)C2C(=NC(/N=N/c3c(O)[nH]c(=O)[nH]c3=O)=[N+]2C)N(C)C1=O.
What is the InChIKey of 8-[(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)diazenyl]-3,7-dimethyl-1-prop-2-enyl-5H-purin-7-ium-2,6-dione?
The InChIKey is LNIQFUBFRZHERG-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H14N8O5/c1-4-5-22-11(25)7-8(21(3)14(22)27)15-12(20(7)2)19-18-6-9(23)16-13(26)17-10(6)24/h4,7H,1,5H2,2-3H3,(H2,16,17,23,24,26)/p+1.
What are the key properties of 8-[(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)diazenyl]-3,7-dimethyl-1-prop-2-enyl-5H-purin-7-ium-2,6-dione?
8-[(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)diazenyl]-3,7-dimethyl-1-prop-2-enyl-5H-purin-7-ium-2,6-dione has a molecular weight of 375.33 g/mol, XLogP of -1.29, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)diazenyl]-3,7-dimethyl-1-prop-2-enyl-5H-purin-7-ium-2,6-dione is sourced from PubChem (CID 156593277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).