4-(2,6-dimethylheptan-4-yldiazenyl)-1H-pyrimidin-6-one

C13H22N4O — CID 137030179

IUPAC4-(2,6-dimethylheptan-4-yldiazenyl)-1H-pyrimidin-6-one
SMILESCC(C)CC(CC(C)C)/N=N/c1cc(=O)[nH]cn1
InChIInChI=1S/C13H22N4O/c1-9(2)5-11(6-10(3)4)16-17-12-7-13(18)15-8-14-12/h7-11H,5-6H2,1-4H3,(H,14,15,18)/b17-16+
InChIKeyHYDAXZSUNGYZQN-WUKNDPDISA-N
MW250.35 g/mol
LogP3.31
Rot. Bonds6

About 4-(2,6-dimethylheptan-4-yldiazenyl)-1H-pyrimidin-6-one

4-(2,6-dimethylheptan-4-yldiazenyl)-1H-pyrimidin-6-one (PubChem CID 137030179) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 4-(2,6-dimethylheptan-4-yldiazenyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(2,6-dimethylheptan-4-yldiazenyl)-1H-pyrimidin-6-one
PubChem CID137030179
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name4-(2,6-dimethylheptan-4-yldiazenyl)-1H-pyrimidin-6-one
SMILESCC(C)CC(CC(C)C)/N=N/c1cc(=O)[nH]cn1
InChIInChI=1S/C13H22N4O/c1-9(2)5-11(6-10(3)4)16-17-12-7-13(18)15-8-14-12/h7-11H,5-6H2,1-4H3,(H,14,15,18)/b17-16+
InChIKeyHYDAXZSUNGYZQN-WUKNDPDISA-N
XLogP3.31
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 53.31
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-(heptan-4-yldiazenyl)-1H-pyrimidin-6-one
CID 137060567
4-(pentan-3-yldiazenyl)-1H-pyrimidin-6-one
CID 137066078
4-(hexan-3-yldiazenyl)-1H-pyrimidin-6-one
CID 137156585
4-[(1-amino-4-methylpentan-3-yl)amino]-1H-pyrimidin-6-one
CID 136848631
4-(4-methylpentan-2-ylamino)-1H-pyrimidin-6-one
CID 136956067
4-(2-methylpentan-3-ylamino)-1H-pyrimidin-6-one
CID 136956362
4-(6-methylheptan-2-ylamino)-1H-pyrimidin-6-one
CID 136956491
4-(1-cyclopropylbutan-2-ylamino)-1H-pyrimidin-6-one
CID 136956693
4-(5-methylhexan-2-ylamino)-1H-pyrimidin-6-one
CID 136956706
4-(4-methylhexan-2-ylamino)-1H-pyrimidin-6-one
CID 136956718
4-(7-methyloctylamino)-1H-pyrimidin-6-one
CID 136982447

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dimethylheptan-4-yldiazenyl)-1H-pyrimidin-6-one?
The IUPAC name of 4-(2,6-dimethylheptan-4-yldiazenyl)-1H-pyrimidin-6-one (CID 137030179) is 4-(2,6-dimethylheptan-4-yldiazenyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(2,6-dimethylheptan-4-yldiazenyl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-(2,6-dimethylheptan-4-yldiazenyl)-1H-pyrimidin-6-one is CC(C)CC(CC(C)C)/N=N/c1cc(=O)[nH]cn1.
What is the InChIKey of 4-(2,6-dimethylheptan-4-yldiazenyl)-1H-pyrimidin-6-one?
The InChIKey is HYDAXZSUNGYZQN-WUKNDPDISA-N. The full InChI is InChI=1S/C13H22N4O/c1-9(2)5-11(6-10(3)4)16-17-12-7-13(18)15-8-14-12/h7-11H,5-6H2,1-4H3,(H,14,15,18)/b17-16+.
What are the key properties of 4-(2,6-dimethylheptan-4-yldiazenyl)-1H-pyrimidin-6-one?
4-(2,6-dimethylheptan-4-yldiazenyl)-1H-pyrimidin-6-one has a molecular weight of 250.35 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dimethylheptan-4-yldiazenyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 137030179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).