4-(2-heptan-4-ylidenehydrazinyl)-1H-pyrimidin-6-one

C11H18N4O — CID 136631239

IUPAC4-(2-heptan-4-ylidenehydrazinyl)-1H-pyrimidin-6-one
SMILESCCCC(CCC)=NNc1cc(=O)[nH]cn1
InChIInChI=1S/C11H18N4O/c1-3-5-9(6-4-2)14-15-10-7-11(16)13-8-12-10/h7-8H,3-6H2,1-2H3,(H2,12,13,15,16)
InChIKeyYATBDEBGLWFOPP-UHFFFAOYSA-N
MW222.29 g/mol
LogP2.14
Rot. Bonds6

About 4-(2-heptan-4-ylidenehydrazinyl)-1H-pyrimidin-6-one

4-(2-heptan-4-ylidenehydrazinyl)-1H-pyrimidin-6-one (PubChem CID 136631239) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 4-(2-heptan-4-ylidenehydrazinyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(2-heptan-4-ylidenehydrazinyl)-1H-pyrimidin-6-one
PubChem CID136631239
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name4-(2-heptan-4-ylidenehydrazinyl)-1H-pyrimidin-6-one
SMILESCCCC(CCC)=NNc1cc(=O)[nH]cn1
InChIInChI=1S/C11H18N4O/c1-3-5-9(6-4-2)14-15-10-7-11(16)13-8-12-10/h7-8H,3-6H2,1-2H3,(H2,12,13,15,16)
InChIKeyYATBDEBGLWFOPP-UHFFFAOYSA-N
XLogP2.14
TPSA70.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2-heptan-4-ylidenehydrazinyl)-1H-pyrimidin-6-one?
The IUPAC name of 4-(2-heptan-4-ylidenehydrazinyl)-1H-pyrimidin-6-one (CID 136631239) is 4-(2-heptan-4-ylidenehydrazinyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(2-heptan-4-ylidenehydrazinyl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-(2-heptan-4-ylidenehydrazinyl)-1H-pyrimidin-6-one is CCCC(CCC)=NNc1cc(=O)[nH]cn1.
What is the InChIKey of 4-(2-heptan-4-ylidenehydrazinyl)-1H-pyrimidin-6-one?
The InChIKey is YATBDEBGLWFOPP-UHFFFAOYSA-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/h7-8H,3-6H2,1-2H3,(H2,12,13,15,16).
What are the key properties of 4-(2-heptan-4-ylidenehydrazinyl)-1H-pyrimidin-6-one?
4-(2-heptan-4-ylidenehydrazinyl)-1H-pyrimidin-6-one has a molecular weight of 222.29 g/mol, XLogP of 2.14, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-heptan-4-ylidenehydrazinyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136631239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).