2-[(2Z)-2-(3,4-dihydro-1H-naphthalen-2-ylidene)hydrazinyl]-4-methyl-1H-pyrimidin-6-one

C15H16N4O — CID 135675959

IUPAC2-[(2Z)-2-(3,4-dihydro-1H-naphthalen-2-ylidene)hydrazinyl]-4-methyl-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(N/N=C2/CCc3ccccc3C2)n1
InChIInChI=1S/C15H16N4O/c1-10-8-14(20)17-15(16-10)19-18-13-7-6-11-4-2-3-5-12(11)9-13/h2-5,8H,6-7,9H2,1H3,(H2,16,17,19,20)/b18-13-
InChIKeyIJGYZKJBQFXOCY-AQTBWJFISA-N
MW268.32 g/mol
LogP2.04
Rot. Bonds2

About 2-[(2Z)-2-(3,4-dihydro-1H-naphthalen-2-ylidene)hydrazinyl]-4-methyl-1H-pyrimidin-6-one

2-[(2Z)-2-(3,4-dihydro-1H-naphthalen-2-ylidene)hydrazinyl]-4-methyl-1H-pyrimidin-6-one (PubChem CID 135675959) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is 2-[(2Z)-2-(3,4-dihydro-1H-naphthalen-2-ylidene)hydrazinyl]-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[(2Z)-2-(3,4-dihydro-1H-naphthalen-2-ylidene)hydrazinyl]-4-methyl-1H-pyrimidin-6-one
PubChem CID135675959
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC Name2-[(2Z)-2-(3,4-dihydro-1H-naphthalen-2-ylidene)hydrazinyl]-4-methyl-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(N/N=C2/CCc3ccccc3C2)n1
InChIInChI=1S/C15H16N4O/c1-10-8-14(20)17-15(16-10)19-18-13-7-6-11-4-2-3-5-12(11)9-13/h2-5,8H,6-7,9H2,1H3,(H2,16,17,19,20)/b18-13-
InChIKeyIJGYZKJBQFXOCY-AQTBWJFISA-N
XLogP2.04
TPSA70.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.04
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'}

Analyze 2-[(2Z)-2-(3,4-dihydro-1H-naphthalen-2-ylidene)hydrazinyl]-4-methyl-1H-pyrimidin-6-one with MolForge

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Related Compounds

(E)-6-methyl-2-(2-(2-phenylpropylidene)hydrazinyl)pyrimidin-4(3H)-one
CID 135412004
2-(Cinnamylidenehydrazino)-4-hydroxy-6-methylpyrimidine
CID 135454405
2-[(2Z)-2-[(2E)-2-benzylidenecyclohexylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
CID 135676154
(1E)-3-phenylpropanal (4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)hydrazone
CID 135412007
3-Phenylacrylaldehyde (6-oxo-4-propyl-1,6-dihydro-2-pyrimidinyl)hydrazone
CID 135412169
(1E,2E)-2-methyl-3-phenylacrylaldehyde (4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)hydrazone
CID 135433183
AC1L5Sro
CID 135500664
2-[2-[1-(4-ethylphenyl)ethylidene]hydrazinyl]-4-phenyl-1H-pyrimidin-6-one
CID 135424200
4-methyl-2-[(2E)-2-[[2-(trifluoromethyl)phenyl]methylidene]hydrazinyl]-1H-pyrimidin-6-one
CID 135520022
4-phenyl-2-(2-propan-2-ylidenehydrazinyl)-1H-pyrimidin-6-one
CID 136498985
2-(2-cyclopentylidenehydrazinyl)-4-phenyl-1H-pyrimidin-6-one
CID 136498989
2-[(2Z)-2-(3-methylcyclopentylidene)hydrazinyl]-4-phenyl-1H-pyrimidin-6-one
CID 136498993

Frequently Asked Questions

What is the IUPAC name of 2-[(2Z)-2-(3,4-dihydro-1H-naphthalen-2-ylidene)hydrazinyl]-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[(2Z)-2-(3,4-dihydro-1H-naphthalen-2-ylidene)hydrazinyl]-4-methyl-1H-pyrimidin-6-one (CID 135675959) is 2-[(2Z)-2-(3,4-dihydro-1H-naphthalen-2-ylidene)hydrazinyl]-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[(2Z)-2-(3,4-dihydro-1H-naphthalen-2-ylidene)hydrazinyl]-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[(2Z)-2-(3,4-dihydro-1H-naphthalen-2-ylidene)hydrazinyl]-4-methyl-1H-pyrimidin-6-one is Cc1cc(=O)[nH]c(N/N=C2/CCc3ccccc3C2)n1.
What is the InChIKey of 2-[(2Z)-2-(3,4-dihydro-1H-naphthalen-2-ylidene)hydrazinyl]-4-methyl-1H-pyrimidin-6-one?
The InChIKey is IJGYZKJBQFXOCY-AQTBWJFISA-N. The full InChI is InChI=1S/C15H16N4O/c1-10-8-14(20)17-15(16-10)19-18-13-7-6-11-4-2-3-5-12(11)9-13/h2-5,8H,6-7,9H2,1H3,(H2,16,17,19,20)/b18-13-.
What are the key properties of 2-[(2Z)-2-(3,4-dihydro-1H-naphthalen-2-ylidene)hydrazinyl]-4-methyl-1H-pyrimidin-6-one?
2-[(2Z)-2-(3,4-dihydro-1H-naphthalen-2-ylidene)hydrazinyl]-4-methyl-1H-pyrimidin-6-one has a molecular weight of 268.32 g/mol, XLogP of 2.04, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2Z)-2-(3,4-dihydro-1H-naphthalen-2-ylidene)hydrazinyl]-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135675959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).