2-[(2Z)-2-benzylidenehydrazinyl]-4-propyl-1H-pyrimidin-6-one

C14H16N4O — CID 135893842

IUPAC2-[(2Z)-2-benzylidenehydrazinyl]-4-propyl-1H-pyrimidin-6-one
SMILESCCCc1cc(=O)[nH]c(N/N=C\c2ccccc2)n1
InChIInChI=1S/C14H16N4O/c1-2-6-12-9-13(19)17-14(16-12)18-15-10-11-7-4-3-5-8-11/h3-5,7-10H,2,6H2,1H3,(H2,16,17,18,19)/b15-10-
InChIKeyUKQVFAMLXNQVCZ-GDNBJRDFSA-N
MW256.31 g/mol
LogP2.17
Rot. Bonds5

About 2-[(2Z)-2-benzylidenehydrazinyl]-4-propyl-1H-pyrimidin-6-one

2-[(2Z)-2-benzylidenehydrazinyl]-4-propyl-1H-pyrimidin-6-one (PubChem CID 135893842) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is 2-[(2Z)-2-benzylidenehydrazinyl]-4-propyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[(2Z)-2-benzylidenehydrazinyl]-4-propyl-1H-pyrimidin-6-one
PubChem CID135893842
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name2-[(2Z)-2-benzylidenehydrazinyl]-4-propyl-1H-pyrimidin-6-one
SMILESCCCc1cc(=O)[nH]c(N/N=C\c2ccccc2)n1
InChIInChI=1S/C14H16N4O/c1-2-6-12-9-13(19)17-14(16-12)18-15-10-11-7-4-3-5-8-11/h3-5,7-10H,2,6H2,1H3,(H2,16,17,18,19)/b15-10-
InChIKeyUKQVFAMLXNQVCZ-GDNBJRDFSA-N
XLogP2.17
TPSA70.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.17
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

4-[(Z)-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)hydrazinylidene]methyl]benzoic acid
CID 135708304
2-[(2E)-2-[(4-propan-2-ylphenyl)methylidene]hydrazinyl]-4-propyl-1H-pyrimidin-6-one
CID 136732970
2-[(2E)-2-[(3-ethoxyphenyl)methylidene]hydrazinyl]-4-propyl-1H-pyrimidin-6-one
CID 136733647
2-[(2E)-2-[(4-butoxyphenyl)methylidene]hydrazinyl]-4-propyl-1H-pyrimidin-6-one
CID 136732880
2-[2-(furan-2-ylmethylidene)hydrazinyl]-4-propyl-1H-pyrimidin-6-one
CID 135543988
2-[(2E)-2-benzylidenehydrazinyl]-4-methyl-1H-pyrimidin-6-one
CID 135460312
2-[(2E)-2-[[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-4-propyl-1H-pyrimidin-6-one
CID 136733347
2-[(2Z)-2-[(3-methoxy-4-pentoxyphenyl)methylidene]hydrazinyl]-4-propyl-1H-pyrimidin-6-one
CID 135598816
2-[(2E)-2-[(4-butoxy-3-methoxyphenyl)methylidene]hydrazinyl]-4-propyl-1H-pyrimidin-6-one
CID 136733214
2-[(2E)-2-[(4-ethylphenyl)methylidene]hydrazinyl]-4-phenyl-1H-pyrimidin-6-one
CID 136732974
2-[(2E)-2-[[3-ethoxy-4-[(2-methylphenyl)methoxy]phenyl]methylidene]hydrazinyl]-4-propyl-1H-pyrimidin-6-one
CID 136733379
2-[(2Z)-2-[[2-[(4-chlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-4-propyl-1H-pyrimidin-6-one
CID 135611327

Frequently Asked Questions

What is the IUPAC name of 2-[(2Z)-2-benzylidenehydrazinyl]-4-propyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[(2Z)-2-benzylidenehydrazinyl]-4-propyl-1H-pyrimidin-6-one (CID 135893842) is 2-[(2Z)-2-benzylidenehydrazinyl]-4-propyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[(2Z)-2-benzylidenehydrazinyl]-4-propyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[(2Z)-2-benzylidenehydrazinyl]-4-propyl-1H-pyrimidin-6-one is CCCc1cc(=O)[nH]c(N/N=C\c2ccccc2)n1.
What is the InChIKey of 2-[(2Z)-2-benzylidenehydrazinyl]-4-propyl-1H-pyrimidin-6-one?
The InChIKey is UKQVFAMLXNQVCZ-GDNBJRDFSA-N. The full InChI is InChI=1S/C14H16N4O/c1-2-6-12-9-13(19)17-14(16-12)18-15-10-11-7-4-3-5-8-11/h3-5,7-10H,2,6H2,1H3,(H2,16,17,18,19)/b15-10-.
What are the key properties of 2-[(2Z)-2-benzylidenehydrazinyl]-4-propyl-1H-pyrimidin-6-one?
2-[(2Z)-2-benzylidenehydrazinyl]-4-propyl-1H-pyrimidin-6-one has a molecular weight of 256.31 g/mol, XLogP of 2.17, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2Z)-2-benzylidenehydrazinyl]-4-propyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135893842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).