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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Related Compounds

6-amino-5-[(4-chlorophenyl)diazenyl]-1,3-dimethyl-2-sulfanylidenepyrimidin-4-one
CID 137240360
6-hydroxy-1,3-dimethyl-5-[(4-nitrophenyl)diazenyl]pyrimidine-2,4-dione
CID 535986
bis(4-methylphenyl)diazene
CID 10389
3-amino-4-[(4-methylphenyl)diazenyl]-2-phenyl-1H-pyrazol-5-one
CID 135490301
1,3-diethyl-6-hydroxy-5-[(4-methylphenyl)diazenyl]pyrimidine-2,4-dione
CID 135672488
6-amino-5-[(4-methoxyphenyl)methylideneamino]-1,3-dimethylpyrimidine-2,4-dione
CID 11033526
7-amino-8-[(4-methylphenyl)diazenyl]-1H-pyrazolo[1,5-a][1,3,5]triazine-2,4-dione
CID 135479905
6-hydroxy-5-[(4-methylphenyl)diazenyl]-1,3-diphenylpyrimidine-2,4-dione
CID 135726525
ethyl (Z)-3-[[5-[(4-chlorophenyl)diazenyl]-1,3-dimethyl-2,6-dioxopyrimidin-4-yl]amino]prop-2-enoate
CID 135604791
N'-(1,3,4-trimethyl-2,6-dioxopyrimidin-5-yl)methanimidamide
CID 135160119
2-amino-7-methyl-3-[(4-methylphenyl)diazenyl]-4H-pyrazolo[1,5-a]pyrimidin-5-one
CID 135482837
1,3,6-trimethylquinazoline-2,4-dione
CID 58376355

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).