6-amino-1,3-dimethyl-5-[(4-methylphenyl)diazenyl]pyrimidine-2,4-dione

C13H15N5O2 — CID 135837405

IUPAC6-amino-1,3-dimethyl-5-[(4-methylphenyl)diazenyl]pyrimidine-2,4-dione
SMILESCc1ccc(/N=N/c2c(N)n(C)c(=O)n(C)c2=O)cc1
InChIInChI=1S/C13H15N5O2/c1-8-4-6-9(7-5-8)15-16-10-11(14)17(2)13(20)18(3)12(10)19/h4-7H,14H2,1-3H3/b16-15+
InChIKeyNUSHKFXJSQSPQC-FOCLMDBBSA-N
MW273.30 g/mol
LogP1.39
Rot. Bonds2

About 6-amino-1,3-dimethyl-5-[(4-methylphenyl)diazenyl]pyrimidine-2,4-dione

6-amino-1,3-dimethyl-5-[(4-methylphenyl)diazenyl]pyrimidine-2,4-dione (PubChem CID 135837405) has the molecular formula C13H15N5O2 and a molecular weight of 273.30 g/mol. Its IUPAC name is 6-amino-1,3-dimethyl-5-[(4-methylphenyl)diazenyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-1,3-dimethyl-5-[(4-methylphenyl)diazenyl]pyrimidine-2,4-dione
PubChem CID135837405
Molecular FormulaC13H15N5O2
Molecular Weight273.30 g/mol
Exact Mass273.12
IUPAC Name6-amino-1,3-dimethyl-5-[(4-methylphenyl)diazenyl]pyrimidine-2,4-dione
SMILESCc1ccc(/N=N/c2c(N)n(C)c(=O)n(C)c2=O)cc1
InChIInChI=1S/C13H15N5O2/c1-8-4-6-9(7-5-8)15-16-10-11(14)17(2)13(20)18(3)12(10)19/h4-7H,14H2,1-3H3/b16-15+
InChIKeyNUSHKFXJSQSPQC-FOCLMDBBSA-N
XLogP1.39
TPSA94.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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 6-amino-1,3-dimethyl-5-[(4-methylphenyl)diazenyl]pyrimidine-2,4-dione?
The IUPAC name of 6-amino-1,3-dimethyl-5-[(4-methylphenyl)diazenyl]pyrimidine-2,4-dione (CID 135837405) is 6-amino-1,3-dimethyl-5-[(4-methylphenyl)diazenyl]pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-1,3-dimethyl-5-[(4-methylphenyl)diazenyl]pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-1,3-dimethyl-5-[(4-methylphenyl)diazenyl]pyrimidine-2,4-dione is Cc1ccc(/N=N/c2c(N)n(C)c(=O)n(C)c2=O)cc1.
What is the InChIKey of 6-amino-1,3-dimethyl-5-[(4-methylphenyl)diazenyl]pyrimidine-2,4-dione?
The InChIKey is NUSHKFXJSQSPQC-FOCLMDBBSA-N. The full InChI is InChI=1S/C13H15N5O2/c1-8-4-6-9(7-5-8)15-16-10-11(14)17(2)13(20)18(3)12(10)19/h4-7H,14H2,1-3H3/b16-15+.
What are the key properties of 6-amino-1,3-dimethyl-5-[(4-methylphenyl)diazenyl]pyrimidine-2,4-dione?
6-amino-1,3-dimethyl-5-[(4-methylphenyl)diazenyl]pyrimidine-2,4-dione has a molecular weight of 273.30 g/mol, XLogP of 1.39, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1,3-dimethyl-5-[(4-methylphenyl)diazenyl]pyrimidine-2,4-dione is sourced from PubChem (CID 135837405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).