4-(heptan-4-yldiazenyl)-1H-pyrimidin-6-one

C11H18N4O — CID 137060567

IUPAC4-(heptan-4-yldiazenyl)-1H-pyrimidin-6-one
SMILESCCCC(CCC)/N=N/c1cc(=O)[nH]cn1
InChIInChI=1S/C11H18N4O/c1-3-5-9(6-4-2)14-15-10-7-11(16)13-8-12-10/h7-9H,3-6H2,1-2H3,(H,12,13,16)/b15-14+
InChIKeyDXVIDVYOPONXJJ-CCEZHUSRSA-N
MW222.29 g/mol
LogP2.82
Rot. Bonds6

About 4-(heptan-4-yldiazenyl)-1H-pyrimidin-6-one

4-(heptan-4-yldiazenyl)-1H-pyrimidin-6-one (PubChem CID 137060567) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 4-(heptan-4-yldiazenyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(heptan-4-yldiazenyl)-1H-pyrimidin-6-one
PubChem CID137060567
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name4-(heptan-4-yldiazenyl)-1H-pyrimidin-6-one
SMILESCCCC(CCC)/N=N/c1cc(=O)[nH]cn1
InChIInChI=1S/C11H18N4O/c1-3-5-9(6-4-2)14-15-10-7-11(16)13-8-12-10/h7-9H,3-6H2,1-2H3,(H,12,13,16)/b15-14+
InChIKeyDXVIDVYOPONXJJ-CCEZHUSRSA-N
XLogP2.82
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 52.82
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-(2,6-dimethylheptan-4-yldiazenyl)-1H-pyrimidin-6-one
CID 137030179
4-(pentan-3-yldiazenyl)-1H-pyrimidin-6-one
CID 137066078
4-(hexan-3-yldiazenyl)-1H-pyrimidin-6-one
CID 137156585
cyclohexanamine;4-(methylamino)-1H-pyrimidin-6-one
CID 145268943
4-(octan-4-ylamino)-1H-pyrimidin-6-one
CID 136731500
4-(4-aminopentylamino)-1H-pyrimidin-6-one
CID 136902391
4-(pentan-2-ylamino)-1H-pyrimidin-6-one
CID 136955935
4-(octan-2-ylamino)-1H-pyrimidin-6-one
CID 136956368
4-(heptan-2-ylamino)-1H-pyrimidin-6-one
CID 136956495
4-(hexan-2-ylamino)-1H-pyrimidin-6-one
CID 136956528
4-(hexan-3-ylamino)-1H-pyrimidin-6-one
CID 136956532
4-(1-aminohexan-2-ylamino)-1H-pyrimidin-6-one
CID 136978828

Frequently Asked Questions

What is the IUPAC name of 4-(heptan-4-yldiazenyl)-1H-pyrimidin-6-one?
The IUPAC name of 4-(heptan-4-yldiazenyl)-1H-pyrimidin-6-one (CID 137060567) is 4-(heptan-4-yldiazenyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(heptan-4-yldiazenyl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-(heptan-4-yldiazenyl)-1H-pyrimidin-6-one is CCCC(CCC)/N=N/c1cc(=O)[nH]cn1.
What is the InChIKey of 4-(heptan-4-yldiazenyl)-1H-pyrimidin-6-one?
The InChIKey is DXVIDVYOPONXJJ-CCEZHUSRSA-N. The full InChI is InChI=1S/C11H18N4O/c1-3-5-9(6-4-2)14-15-10-7-11(16)13-8-12-10/h7-9H,3-6H2,1-2H3,(H,12,13,16)/b15-14+.
What are the key properties of 4-(heptan-4-yldiazenyl)-1H-pyrimidin-6-one?
4-(heptan-4-yldiazenyl)-1H-pyrimidin-6-one has a molecular weight of 222.29 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(heptan-4-yldiazenyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 137060567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).