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

C12H20N4O — CID 135824142

IUPAC2-(2-heptan-4-ylidenehydrazinyl)-4-methyl-1H-pyrimidin-6-one
SMILESCCCC(CCC)=NNc1nc(C)cc(=O)[nH]1
InChIInChI=1S/C12H20N4O/c1-4-6-10(7-5-2)15-16-12-13-9(3)8-11(17)14-12/h8H,4-7H2,1-3H3,(H2,13,14,16,17)
InChIKeyCIYPTEBIPRWELB-UHFFFAOYSA-N
MW236.32 g/mol
LogP2.45
Rot. Bonds6

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

2-(2-heptan-4-ylidenehydrazinyl)-4-methyl-1H-pyrimidin-6-one (PubChem CID 135824142) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 2-(2-heptan-4-ylidenehydrazinyl)-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(2-heptan-4-ylidenehydrazinyl)-4-methyl-1H-pyrimidin-6-one
PubChem CID135824142
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name2-(2-heptan-4-ylidenehydrazinyl)-4-methyl-1H-pyrimidin-6-one
SMILESCCCC(CCC)=NNc1nc(C)cc(=O)[nH]1
InChIInChI=1S/C12H20N4O/c1-4-6-10(7-5-2)15-16-12-13-9(3)8-11(17)14-12/h8H,4-7H2,1-3H3,(H2,13,14,16,17)
InChIKeyCIYPTEBIPRWELB-UHFFFAOYSA-N
XLogP2.45
TPSA70.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 52.45
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 2-(2-heptan-4-ylidenehydrazinyl)-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(2-heptan-4-ylidenehydrazinyl)-4-methyl-1H-pyrimidin-6-one (CID 135824142) is 2-(2-heptan-4-ylidenehydrazinyl)-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(2-heptan-4-ylidenehydrazinyl)-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(2-heptan-4-ylidenehydrazinyl)-4-methyl-1H-pyrimidin-6-one is CCCC(CCC)=NNc1nc(C)cc(=O)[nH]1.
What is the InChIKey of 2-(2-heptan-4-ylidenehydrazinyl)-4-methyl-1H-pyrimidin-6-one?
The InChIKey is CIYPTEBIPRWELB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-4-6-10(7-5-2)15-16-12-13-9(3)8-11(17)14-12/h8H,4-7H2,1-3H3,(H2,13,14,16,17).
What are the key properties of 2-(2-heptan-4-ylidenehydrazinyl)-4-methyl-1H-pyrimidin-6-one?
2-(2-heptan-4-ylidenehydrazinyl)-4-methyl-1H-pyrimidin-6-one has a molecular weight of 236.32 g/mol, XLogP of 2.45, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-heptan-4-ylidenehydrazinyl)-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135824142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).