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

C13H15N5O3 — CID 135712962

IUPAC2-amino-4-(dimethoxymethyl)-5-phenyldiazenyl-1H-pyrimidin-6-one
SMILESCOC(OC)c1nc(N)[nH]c(=O)c1/N=N/c1ccccc1
InChIInChI=1S/C13H15N5O3/c1-20-12(21-2)10-9(11(19)16-13(14)15-10)18-17-8-6-4-3-5-7-8/h3-7,12H,1-2H3,(H3,14,15,16,19)/b18-17+
InChIKeyDYGKCQCZQNXBHN-ISLYRVAYSA-N
MW289.30 g/mol
LogP2.06
Rot. Bonds5

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

2-amino-4-(dimethoxymethyl)-5-phenyldiazenyl-1H-pyrimidin-6-one (PubChem CID 135712962) has the molecular formula C13H15N5O3 and a molecular weight of 289.30 g/mol. Its IUPAC name is 2-amino-4-(dimethoxymethyl)-5-phenyldiazenyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-amino-4-(dimethoxymethyl)-5-phenyldiazenyl-1H-pyrimidin-6-one
PubChem CID135712962
Molecular FormulaC13H15N5O3
Molecular Weight289.30 g/mol
Exact Mass289.12
IUPAC Name2-amino-4-(dimethoxymethyl)-5-phenyldiazenyl-1H-pyrimidin-6-one
SMILESCOC(OC)c1nc(N)[nH]c(=O)c1/N=N/c1ccccc1
InChIInChI=1S/C13H15N5O3/c1-20-12(21-2)10-9(11(19)16-13(14)15-10)18-17-8-6-4-3-5-7-8/h3-7,12H,1-2H3,(H3,14,15,16,19)/b18-17+
InChIKeyDYGKCQCZQNXBHN-ISLYRVAYSA-N
XLogP2.06
TPSA114.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(dimethoxymethyl)-5-phenyldiazenyl-1H-pyrimidin-6-one?
The IUPAC name of 2-amino-4-(dimethoxymethyl)-5-phenyldiazenyl-1H-pyrimidin-6-one (CID 135712962) is 2-amino-4-(dimethoxymethyl)-5-phenyldiazenyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-amino-4-(dimethoxymethyl)-5-phenyldiazenyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-amino-4-(dimethoxymethyl)-5-phenyldiazenyl-1H-pyrimidin-6-one is COC(OC)c1nc(N)[nH]c(=O)c1/N=N/c1ccccc1.
What is the InChIKey of 2-amino-4-(dimethoxymethyl)-5-phenyldiazenyl-1H-pyrimidin-6-one?
The InChIKey is DYGKCQCZQNXBHN-ISLYRVAYSA-N. The full InChI is InChI=1S/C13H15N5O3/c1-20-12(21-2)10-9(11(19)16-13(14)15-10)18-17-8-6-4-3-5-7-8/h3-7,12H,1-2H3,(H3,14,15,16,19)/b18-17+.
What are the key properties of 2-amino-4-(dimethoxymethyl)-5-phenyldiazenyl-1H-pyrimidin-6-one?
2-amino-4-(dimethoxymethyl)-5-phenyldiazenyl-1H-pyrimidin-6-one has a molecular weight of 289.30 g/mol, XLogP of 2.06, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(dimethoxymethyl)-5-phenyldiazenyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135712962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).