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

C10H8Cl2N6O — CID 135545630

IUPAC2,4-diamino-5-[(2,4-dichlorophenyl)diazenyl]-1H-pyrimidin-6-one
SMILESNc1nc(N)c(/N=N/c2ccc(Cl)cc2Cl)c(=O)[nH]1
InChIInChI=1S/C10H8Cl2N6O/c11-4-1-2-6(5(12)3-4)17-18-7-8(13)15-10(14)16-9(7)19/h1-3H,(H5,13,14,15,16,19)/b18-17+
InChIKeyPEHMTYACRYIDSS-ISLYRVAYSA-N
MW299.12 g/mol
LogP2.66
Rot. Bonds2

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

2,4-diamino-5-[(2,4-dichlorophenyl)diazenyl]-1H-pyrimidin-6-one (PubChem CID 135545630) has the molecular formula C10H8Cl2N6O and a molecular weight of 299.12 g/mol. Its IUPAC name is 2,4-diamino-5-[(2,4-dichlorophenyl)diazenyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2,4-diamino-5-[(2,4-dichlorophenyl)diazenyl]-1H-pyrimidin-6-one
PubChem CID135545630
Molecular FormulaC10H8Cl2N6O
Molecular Weight299.12 g/mol
Exact Mass298.01
IUPAC Name2,4-diamino-5-[(2,4-dichlorophenyl)diazenyl]-1H-pyrimidin-6-one
SMILESNc1nc(N)c(/N=N/c2ccc(Cl)cc2Cl)c(=O)[nH]1
InChIInChI=1S/C10H8Cl2N6O/c11-4-1-2-6(5(12)3-4)17-18-7-8(13)15-10(14)16-9(7)19/h1-3H,(H5,13,14,15,16,19)/b18-17+
InChIKeyPEHMTYACRYIDSS-ISLYRVAYSA-N
XLogP2.66
TPSA122.51 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.12
LogP ≤ 52.66
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-dichlorophenyl)diazenyl]-1H-pyrimidin-6-one?
The IUPAC name of 2,4-diamino-5-[(2,4-dichlorophenyl)diazenyl]-1H-pyrimidin-6-one (CID 135545630) is 2,4-diamino-5-[(2,4-dichlorophenyl)diazenyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2,4-diamino-5-[(2,4-dichlorophenyl)diazenyl]-1H-pyrimidin-6-one?
The canonical SMILES for 2,4-diamino-5-[(2,4-dichlorophenyl)diazenyl]-1H-pyrimidin-6-one is Nc1nc(N)c(/N=N/c2ccc(Cl)cc2Cl)c(=O)[nH]1.
What is the InChIKey of 2,4-diamino-5-[(2,4-dichlorophenyl)diazenyl]-1H-pyrimidin-6-one?
The InChIKey is PEHMTYACRYIDSS-ISLYRVAYSA-N. The full InChI is InChI=1S/C10H8Cl2N6O/c11-4-1-2-6(5(12)3-4)17-18-7-8(13)15-10(14)16-9(7)19/h1-3H,(H5,13,14,15,16,19)/b18-17+.
What are the key properties of 2,4-diamino-5-[(2,4-dichlorophenyl)diazenyl]-1H-pyrimidin-6-one?
2,4-diamino-5-[(2,4-dichlorophenyl)diazenyl]-1H-pyrimidin-6-one has a molecular weight of 299.12 g/mol, XLogP of 2.66, 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-dichlorophenyl)diazenyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 135545630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).