2-amino-4-(ethylamino)-5-phenyldiazenyl-1H-pyrimidin-6-one

C12H14N6O — CID 135431288

IUPAC2-amino-4-(ethylamino)-5-phenyldiazenyl-1H-pyrimidin-6-one
SMILESCCNc1nc(N)[nH]c(=O)c1/N=N/c1ccccc1
InChIInChI=1S/C12H14N6O/c1-2-14-10-9(11(19)16-12(13)15-10)18-17-8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H4,13,14,15,16,19)/b18-17+
InChIKeyLKPYWPPTMZAROK-ISLYRVAYSA-N
MW258.29 g/mol
LogP2.20
Rot. Bonds4

About 2-amino-4-(ethylamino)-5-phenyldiazenyl-1H-pyrimidin-6-one

2-amino-4-(ethylamino)-5-phenyldiazenyl-1H-pyrimidin-6-one (PubChem CID 135431288) has the molecular formula C12H14N6O and a molecular weight of 258.29 g/mol. Its IUPAC name is 2-amino-4-(ethylamino)-5-phenyldiazenyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-amino-4-(ethylamino)-5-phenyldiazenyl-1H-pyrimidin-6-one
PubChem CID135431288
Molecular FormulaC12H14N6O
Molecular Weight258.29 g/mol
Exact Mass258.12
IUPAC Name2-amino-4-(ethylamino)-5-phenyldiazenyl-1H-pyrimidin-6-one
SMILESCCNc1nc(N)[nH]c(=O)c1/N=N/c1ccccc1
InChIInChI=1S/C12H14N6O/c1-2-14-10-9(11(19)16-12(13)15-10)18-17-8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H4,13,14,15,16,19)/b18-17+
InChIKeyLKPYWPPTMZAROK-ISLYRVAYSA-N
XLogP2.20
TPSA108.52 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.29
LogP ≤ 52.20
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-amino-4-(ethylamino)-5-phenyldiazenyl-1H-pyrimidin-6-one?
The IUPAC name of 2-amino-4-(ethylamino)-5-phenyldiazenyl-1H-pyrimidin-6-one (CID 135431288) is 2-amino-4-(ethylamino)-5-phenyldiazenyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-amino-4-(ethylamino)-5-phenyldiazenyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-amino-4-(ethylamino)-5-phenyldiazenyl-1H-pyrimidin-6-one is CCNc1nc(N)[nH]c(=O)c1/N=N/c1ccccc1.
What is the InChIKey of 2-amino-4-(ethylamino)-5-phenyldiazenyl-1H-pyrimidin-6-one?
The InChIKey is LKPYWPPTMZAROK-ISLYRVAYSA-N. The full InChI is InChI=1S/C12H14N6O/c1-2-14-10-9(11(19)16-12(13)15-10)18-17-8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H4,13,14,15,16,19)/b18-17+.
What are the key properties of 2-amino-4-(ethylamino)-5-phenyldiazenyl-1H-pyrimidin-6-one?
2-amino-4-(ethylamino)-5-phenyldiazenyl-1H-pyrimidin-6-one has a molecular weight of 258.29 g/mol, XLogP of 2.20, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(ethylamino)-5-phenyldiazenyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135431288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).