4-(hexan-3-yldiazenyl)-1H-pyrimidin-6-one

C10H16N4O — CID 137156585

IUPAC4-(hexan-3-yldiazenyl)-1H-pyrimidin-6-one
SMILESCCCC(CC)/N=N/c1cc(=O)[nH]cn1
InChIInChI=1S/C10H16N4O/c1-3-5-8(4-2)13-14-9-6-10(15)12-7-11-9/h6-8H,3-5H2,1-2H3,(H,11,12,15)/b14-13+
InChIKeyPWNQNGZKQUQHGE-BUHFOSPRSA-N
MW208.26 g/mol
LogP2.43
Rot. Bonds5

About 4-(hexan-3-yldiazenyl)-1H-pyrimidin-6-one

4-(hexan-3-yldiazenyl)-1H-pyrimidin-6-one (PubChem CID 137156585) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is 4-(hexan-3-yldiazenyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(hexan-3-yldiazenyl)-1H-pyrimidin-6-one
PubChem CID137156585
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC Name4-(hexan-3-yldiazenyl)-1H-pyrimidin-6-one
SMILESCCCC(CC)/N=N/c1cc(=O)[nH]cn1
InChIInChI=1S/C10H16N4O/c1-3-5-8(4-2)13-14-9-6-10(15)12-7-11-9/h6-8H,3-5H2,1-2H3,(H,11,12,15)/b14-13+
InChIKeyPWNQNGZKQUQHGE-BUHFOSPRSA-N
XLogP2.43
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-(hexan-3-yldiazenyl)-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(2,6-dimethylheptan-4-yldiazenyl)-1H-pyrimidin-6-one
CID 137030179
4-(heptan-4-yldiazenyl)-1H-pyrimidin-6-one
CID 137060567
4-(pentan-3-yldiazenyl)-1H-pyrimidin-6-one
CID 137066078
cyclohexanamine;4-(methylamino)-1H-pyrimidin-6-one
CID 145268943
Ethane;3-methyl-6-(propan-2-ylamino)pyrimidin-4-one
CID 169237699
4-(octan-4-ylamino)-1H-pyrimidin-6-one
CID 136731500
4-(6-aminohexylamino)-1H-pyrimidin-6-one
CID 136755771
4-(4-aminopentylamino)-1H-pyrimidin-6-one
CID 136902391
4-(pentan-3-ylamino)-1H-pyrimidin-6-one
CID 136955904
4-(pentan-2-ylamino)-1H-pyrimidin-6-one
CID 136955935
4-[5-(diethylamino)pentan-2-ylamino]-1H-pyrimidin-6-one
CID 136955976
4-(octan-2-ylamino)-1H-pyrimidin-6-one
CID 136956368

Frequently Asked Questions

What is the IUPAC name of 4-(hexan-3-yldiazenyl)-1H-pyrimidin-6-one?
The IUPAC name of 4-(hexan-3-yldiazenyl)-1H-pyrimidin-6-one (CID 137156585) is 4-(hexan-3-yldiazenyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(hexan-3-yldiazenyl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-(hexan-3-yldiazenyl)-1H-pyrimidin-6-one is CCCC(CC)/N=N/c1cc(=O)[nH]cn1.
What is the InChIKey of 4-(hexan-3-yldiazenyl)-1H-pyrimidin-6-one?
The InChIKey is PWNQNGZKQUQHGE-BUHFOSPRSA-N. The full InChI is InChI=1S/C10H16N4O/c1-3-5-8(4-2)13-14-9-6-10(15)12-7-11-9/h6-8H,3-5H2,1-2H3,(H,11,12,15)/b14-13+.
What are the key properties of 4-(hexan-3-yldiazenyl)-1H-pyrimidin-6-one?
4-(hexan-3-yldiazenyl)-1H-pyrimidin-6-one has a molecular weight of 208.26 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hexan-3-yldiazenyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 137156585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).