2,4-diamino-5-[(2,4-dimethylphenyl)diazenyl]-1H-pyrimidin-6-one

C12H14N6O — CID 135515796

IUPAC2,4-diamino-5-[(2,4-dimethylphenyl)diazenyl]-1H-pyrimidin-6-one
SMILESCc1ccc(/N=N/c2c(N)nc(N)[nH]c2=O)c(C)c1
InChIInChI=1S/C12H14N6O/c1-6-3-4-8(7(2)5-6)17-18-9-10(13)15-12(14)16-11(9)19/h3-5H,1-2H3,(H5,13,14,15,16,19)/b18-17+
InChIKeyIGDDMOCNBANJEW-ISLYRVAYSA-N
MW258.29 g/mol
LogP1.97
Rot. Bonds2

About 2,4-diamino-5-[(2,4-dimethylphenyl)diazenyl]-1H-pyrimidin-6-one

2,4-diamino-5-[(2,4-dimethylphenyl)diazenyl]-1H-pyrimidin-6-one (PubChem CID 135515796) has the molecular formula C12H14N6O and a molecular weight of 258.29 g/mol. Its IUPAC name is 2,4-diamino-5-[(2,4-dimethylphenyl)diazenyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2,4-diamino-5-[(2,4-dimethylphenyl)diazenyl]-1H-pyrimidin-6-one
PubChem CID135515796
Molecular FormulaC12H14N6O
Molecular Weight258.29 g/mol
Exact Mass258.12
IUPAC Name2,4-diamino-5-[(2,4-dimethylphenyl)diazenyl]-1H-pyrimidin-6-one
SMILESCc1ccc(/N=N/c2c(N)nc(N)[nH]c2=O)c(C)c1
InChIInChI=1S/C12H14N6O/c1-6-3-4-8(7(2)5-6)17-18-9-10(13)15-12(14)16-11(9)19/h3-5H,1-2H3,(H5,13,14,15,16,19)/b18-17+
InChIKeyIGDDMOCNBANJEW-ISLYRVAYSA-N
XLogP1.97
TPSA122.51 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.29
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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 2,4-diamino-5-[(2,4-dimethylphenyl)diazenyl]-1H-pyrimidin-6-one?
The IUPAC name of 2,4-diamino-5-[(2,4-dimethylphenyl)diazenyl]-1H-pyrimidin-6-one (CID 135515796) is 2,4-diamino-5-[(2,4-dimethylphenyl)diazenyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2,4-diamino-5-[(2,4-dimethylphenyl)diazenyl]-1H-pyrimidin-6-one?
The canonical SMILES for 2,4-diamino-5-[(2,4-dimethylphenyl)diazenyl]-1H-pyrimidin-6-one is Cc1ccc(/N=N/c2c(N)nc(N)[nH]c2=O)c(C)c1.
What is the InChIKey of 2,4-diamino-5-[(2,4-dimethylphenyl)diazenyl]-1H-pyrimidin-6-one?
The InChIKey is IGDDMOCNBANJEW-ISLYRVAYSA-N. The full InChI is InChI=1S/C12H14N6O/c1-6-3-4-8(7(2)5-6)17-18-9-10(13)15-12(14)16-11(9)19/h3-5H,1-2H3,(H5,13,14,15,16,19)/b18-17+.
What are the key properties of 2,4-diamino-5-[(2,4-dimethylphenyl)diazenyl]-1H-pyrimidin-6-one?
2,4-diamino-5-[(2,4-dimethylphenyl)diazenyl]-1H-pyrimidin-6-one has a molecular weight of 258.29 g/mol, XLogP of 1.97, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diamino-5-[(2,4-dimethylphenyl)diazenyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 135515796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).