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

C9H14N4O — CID 137066078

IUPAC4-(pentan-3-yldiazenyl)-1H-pyrimidin-6-one
SMILESCCC(CC)/N=N/c1cc(=O)[nH]cn1
InChIInChI=1S/C9H14N4O/c1-3-7(4-2)12-13-8-5-9(14)11-6-10-8/h5-7H,3-4H2,1-2H3,(H,10,11,14)/b13-12+
InChIKeyRMTXKJUDZRCUFW-OUKQBFOZSA-N
MW194.24 g/mol
LogP2.04
Rot. Bonds4

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

4-(pentan-3-yldiazenyl)-1H-pyrimidin-6-one (PubChem CID 137066078) has the molecular formula C9H14N4O and a molecular weight of 194.24 g/mol. Its IUPAC name is 4-(pentan-3-yldiazenyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(pentan-3-yldiazenyl)-1H-pyrimidin-6-one
PubChem CID137066078
Molecular FormulaC9H14N4O
Molecular Weight194.24 g/mol
Exact Mass194.12
IUPAC Name4-(pentan-3-yldiazenyl)-1H-pyrimidin-6-one
SMILESCCC(CC)/N=N/c1cc(=O)[nH]cn1
InChIInChI=1S/C9H14N4O/c1-3-7(4-2)12-13-8-5-9(14)11-6-10-8/h5-7H,3-4H2,1-2H3,(H,10,11,14)/b13-12+
InChIKeyRMTXKJUDZRCUFW-OUKQBFOZSA-N
XLogP2.04
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 52.04
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'}

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Related Compounds

4-(methyldiazenyl)-1H-pyrimidin-6-one
CID 137022461
4-(2,6-dimethylheptan-4-yldiazenyl)-1H-pyrimidin-6-one
CID 137030179
4-(heptan-4-yldiazenyl)-1H-pyrimidin-6-one
CID 137060567
4-(hexan-3-yldiazenyl)-1H-pyrimidin-6-one
CID 137156585
cyclohexanamine;4-(methylamino)-1H-pyrimidin-6-one
CID 145268943
Ethane;3-methyl-6-(propan-2-ylamino)pyrimidin-4-one
CID 169237699
3-Methyl-6-(propan-2-ylamino)pyrimidin-4-one
CID 169237700
4-(propan-2-ylamino)-1H-pyrimidin-6-one
CID 136828750
4-(4-aminopentylamino)-1H-pyrimidin-6-one
CID 136902391
4-(butan-2-ylamino)-1H-pyrimidin-6-one
CID 136955893
4-(pentan-3-ylamino)-1H-pyrimidin-6-one
CID 136955904
4-(pentan-2-ylamino)-1H-pyrimidin-6-one
CID 136955935

Frequently Asked Questions

What is the IUPAC name of 4-(pentan-3-yldiazenyl)-1H-pyrimidin-6-one?
The IUPAC name of 4-(pentan-3-yldiazenyl)-1H-pyrimidin-6-one (CID 137066078) is 4-(pentan-3-yldiazenyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(pentan-3-yldiazenyl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-(pentan-3-yldiazenyl)-1H-pyrimidin-6-one is CCC(CC)/N=N/c1cc(=O)[nH]cn1.
What is the InChIKey of 4-(pentan-3-yldiazenyl)-1H-pyrimidin-6-one?
The InChIKey is RMTXKJUDZRCUFW-OUKQBFOZSA-N. The full InChI is InChI=1S/C9H14N4O/c1-3-7(4-2)12-13-8-5-9(14)11-6-10-8/h5-7H,3-4H2,1-2H3,(H,10,11,14)/b13-12+.
What are the key properties of 4-(pentan-3-yldiazenyl)-1H-pyrimidin-6-one?
4-(pentan-3-yldiazenyl)-1H-pyrimidin-6-one has a molecular weight of 194.24 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(pentan-3-yldiazenyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 137066078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).