4-methyl-2-[(2E)-2-pentan-2-ylidenehydrazinyl]-1H-pyrimidin-6-one

C10H16N4O — CID 135460317

IUPAC4-methyl-2-[(2E)-2-pentan-2-ylidenehydrazinyl]-1H-pyrimidin-6-one
SMILESCCC/C(C)=N/Nc1nc(C)cc(=O)[nH]1
InChIInChI=1S/C10H16N4O/c1-4-5-7(2)13-14-10-11-8(3)6-9(15)12-10/h6H,4-5H2,1-3H3,(H2,11,12,14,15)/b13-7+
InChIKeyGFNVWPOLZGTELU-NTUHNPAUSA-N
MW208.26 g/mol
LogP1.67
Rot. Bonds4

About 4-methyl-2-[(2E)-2-pentan-2-ylidenehydrazinyl]-1H-pyrimidin-6-one

4-methyl-2-[(2E)-2-pentan-2-ylidenehydrazinyl]-1H-pyrimidin-6-one (PubChem CID 135460317) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is 4-methyl-2-[(2E)-2-pentan-2-ylidenehydrazinyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-methyl-2-[(2E)-2-pentan-2-ylidenehydrazinyl]-1H-pyrimidin-6-one
PubChem CID135460317
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC Name4-methyl-2-[(2E)-2-pentan-2-ylidenehydrazinyl]-1H-pyrimidin-6-one
SMILESCCC/C(C)=N/Nc1nc(C)cc(=O)[nH]1
InChIInChI=1S/C10H16N4O/c1-4-5-7(2)13-14-10-11-8(3)6-9(15)12-10/h6H,4-5H2,1-3H3,(H2,11,12,14,15)/b13-7+
InChIKeyGFNVWPOLZGTELU-NTUHNPAUSA-N
XLogP1.67
TPSA70.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.67
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-methyl-2-[(2E)-2-pentan-2-ylidenehydrazinyl]-1H-pyrimidin-6-one?
The IUPAC name of 4-methyl-2-[(2E)-2-pentan-2-ylidenehydrazinyl]-1H-pyrimidin-6-one (CID 135460317) is 4-methyl-2-[(2E)-2-pentan-2-ylidenehydrazinyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-methyl-2-[(2E)-2-pentan-2-ylidenehydrazinyl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-methyl-2-[(2E)-2-pentan-2-ylidenehydrazinyl]-1H-pyrimidin-6-one is CCC/C(C)=N/Nc1nc(C)cc(=O)[nH]1.
What is the InChIKey of 4-methyl-2-[(2E)-2-pentan-2-ylidenehydrazinyl]-1H-pyrimidin-6-one?
The InChIKey is GFNVWPOLZGTELU-NTUHNPAUSA-N. The full InChI is InChI=1S/C10H16N4O/c1-4-5-7(2)13-14-10-11-8(3)6-9(15)12-10/h6H,4-5H2,1-3H3,(H2,11,12,14,15)/b13-7+.
What are the key properties of 4-methyl-2-[(2E)-2-pentan-2-ylidenehydrazinyl]-1H-pyrimidin-6-one?
4-methyl-2-[(2E)-2-pentan-2-ylidenehydrazinyl]-1H-pyrimidin-6-one has a molecular weight of 208.26 g/mol, XLogP of 1.67, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(2E)-2-pentan-2-ylidenehydrazinyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 135460317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).