2-[2-(2,6-dimethylheptan-4-ylidene)hydrazinyl]-4-methyl-1H-pyrimidin-6-one

C14H24N4O — CID 135401282

IUPAC2-[2-(2,6-dimethylheptan-4-ylidene)hydrazinyl]-4-methyl-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(NN=C(CC(C)C)CC(C)C)n1
InChIInChI=1S/C14H24N4O/c1-9(2)6-12(7-10(3)4)17-18-14-15-11(5)8-13(19)16-14/h8-10H,6-7H2,1-5H3,(H2,15,16,18,19)
InChIKeyQEUZYIOHMKQOBD-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.94
Rot. Bonds6

About 2-[2-(2,6-dimethylheptan-4-ylidene)hydrazinyl]-4-methyl-1H-pyrimidin-6-one

2-[2-(2,6-dimethylheptan-4-ylidene)hydrazinyl]-4-methyl-1H-pyrimidin-6-one (PubChem CID 135401282) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-[2-(2,6-dimethylheptan-4-ylidene)hydrazinyl]-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[2-(2,6-dimethylheptan-4-ylidene)hydrazinyl]-4-methyl-1H-pyrimidin-6-one
PubChem CID135401282
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name2-[2-(2,6-dimethylheptan-4-ylidene)hydrazinyl]-4-methyl-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(NN=C(CC(C)C)CC(C)C)n1
InChIInChI=1S/C14H24N4O/c1-9(2)6-12(7-10(3)4)17-18-14-15-11(5)8-13(19)16-14/h8-10H,6-7H2,1-5H3,(H2,15,16,18,19)
InChIKeyQEUZYIOHMKQOBD-UHFFFAOYSA-N
XLogP2.94
TPSA70.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.94
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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Related Compounds

2-[2-(2-adamantylidene)hydrazinyl]-4-methyl-1H-pyrimidin-6-one
CID 135443251
6-Methyl-2-[2-(2-methylcyclohexylidene)hydrazin-1-yl]pyrimidin-4-ol
CID 135400643
2-[2-(4-tert-butylcyclohexylidene)hydrazinyl]-6-methyl-1H-pyrimidin-4-one
CID 135475001
1-Cyclopropylethanone (4-hydroxy-6-methyl-2-pyrimidinyl)hydrazone
CID 135517199
4-methyl-2-[(2Z)-2-(2-methylcyclohexylidene)hydrazinyl]-1H-pyrimidin-6-one
CID 135460318
2-[(2E)-2-(Butan-2-ylidene)hydrazin-1-yl]-6-methylpyrimidin-4(1H)-one
CID 135491016
Nsc75870
CID 135747237
Nsc81230
CID 136187465
4-methyl-2-[(2E)-2-[(4E)-4-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)hydrazinylidene]hexan-3-ylidene]hydrazinyl]-1H-pyrimidin-6-one
CID 135675976
4-Methyl-2-pentanone (4-hydroxy-6-methyl-2-pyrimidinyl)hydrazone
CID 135429819
2-(2-Isopropylidenehydrazino)-6-methylpyrimidin-4-ol
CID 135460313
6-Methyl-2-[(2E)-2-(pentan-2-ylidene)hydrazin-1-yl]pyrimidin-4(1H)-one
CID 135460317

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,6-dimethylheptan-4-ylidene)hydrazinyl]-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[2-(2,6-dimethylheptan-4-ylidene)hydrazinyl]-4-methyl-1H-pyrimidin-6-one (CID 135401282) is 2-[2-(2,6-dimethylheptan-4-ylidene)hydrazinyl]-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[2-(2,6-dimethylheptan-4-ylidene)hydrazinyl]-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[2-(2,6-dimethylheptan-4-ylidene)hydrazinyl]-4-methyl-1H-pyrimidin-6-one is Cc1cc(=O)[nH]c(NN=C(CC(C)C)CC(C)C)n1.
What is the InChIKey of 2-[2-(2,6-dimethylheptan-4-ylidene)hydrazinyl]-4-methyl-1H-pyrimidin-6-one?
The InChIKey is QEUZYIOHMKQOBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-9(2)6-12(7-10(3)4)17-18-14-15-11(5)8-13(19)16-14/h8-10H,6-7H2,1-5H3,(H2,15,16,18,19).
What are the key properties of 2-[2-(2,6-dimethylheptan-4-ylidene)hydrazinyl]-4-methyl-1H-pyrimidin-6-one?
2-[2-(2,6-dimethylheptan-4-ylidene)hydrazinyl]-4-methyl-1H-pyrimidin-6-one has a molecular weight of 264.37 g/mol, XLogP of 2.94, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,6-dimethylheptan-4-ylidene)hydrazinyl]-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135401282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).