4-methyl-2-[(2E)-2-(2-phenylpropylidene)hydrazinyl]-1H-pyrimidin-6-one

C14H16N4O — CID 135412004

IUPAC4-methyl-2-[(2E)-2-(2-phenylpropylidene)hydrazinyl]-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(N/N=C/C(C)c2ccccc2)n1
InChIInChI=1S/C14H16N4O/c1-10(12-6-4-3-5-7-12)9-15-18-14-16-11(2)8-13(19)17-14/h3-10H,1-2H3,(H2,16,17,18,19)/b15-9+
InChIKeyHNHYXWAVXGQPKV-OQLLNIDSSA-N
MW256.31 g/mol
LogP2.28
Rot. Bonds4

About 4-methyl-2-[(2E)-2-(2-phenylpropylidene)hydrazinyl]-1H-pyrimidin-6-one

4-methyl-2-[(2E)-2-(2-phenylpropylidene)hydrazinyl]-1H-pyrimidin-6-one (PubChem CID 135412004) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is 4-methyl-2-[(2E)-2-(2-phenylpropylidene)hydrazinyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-methyl-2-[(2E)-2-(2-phenylpropylidene)hydrazinyl]-1H-pyrimidin-6-one
PubChem CID135412004
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name4-methyl-2-[(2E)-2-(2-phenylpropylidene)hydrazinyl]-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(N/N=C/C(C)c2ccccc2)n1
InChIInChI=1S/C14H16N4O/c1-10(12-6-4-3-5-7-12)9-15-18-14-16-11(2)8-13(19)17-14/h3-10H,1-2H3,(H2,16,17,18,19)/b15-9+
InChIKeyHNHYXWAVXGQPKV-OQLLNIDSSA-N
XLogP2.28
TPSA70.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.28
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-(Cinnamylidenehydrazino)-4-hydroxy-6-methylpyrimidine
CID 135454405
(E)-6-methyl-3-(2-(2-phenylpropylidene)hydrazinyl)-1,2,4-triazin-5(4H)-one
CID 135412003
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
(1E,2E)-2-methyl-3-phenylacrylaldehyde (5-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)hydrazone
CID 6863503
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
2-(N'-(4-Fluoro-benzylidene)-hydrazino)-6-methyl-pyrimidin-4-OL
CID 135454399
6-Methyl-2-(N'-pentafluorophenylmethylene-hydrazino)-pyrimidin-4-ol
CID 135723776
AC1L5Sro
CID 135500664
2-[(2Z)-2-(3,4-dihydro-1H-naphthalen-2-ylidene)hydrazinyl]-4-methyl-1H-pyrimidin-6-one
CID 135675959
4-methyl-2-[(2E)-2-[[2-(trifluoromethyl)phenyl]methylidene]hydrazinyl]-1H-pyrimidin-6-one
CID 135520022

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(2E)-2-(2-phenylpropylidene)hydrazinyl]-1H-pyrimidin-6-one?
The IUPAC name of 4-methyl-2-[(2E)-2-(2-phenylpropylidene)hydrazinyl]-1H-pyrimidin-6-one (CID 135412004) is 4-methyl-2-[(2E)-2-(2-phenylpropylidene)hydrazinyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-methyl-2-[(2E)-2-(2-phenylpropylidene)hydrazinyl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-methyl-2-[(2E)-2-(2-phenylpropylidene)hydrazinyl]-1H-pyrimidin-6-one is Cc1cc(=O)[nH]c(N/N=C/C(C)c2ccccc2)n1.
What is the InChIKey of 4-methyl-2-[(2E)-2-(2-phenylpropylidene)hydrazinyl]-1H-pyrimidin-6-one?
The InChIKey is HNHYXWAVXGQPKV-OQLLNIDSSA-N. The full InChI is InChI=1S/C14H16N4O/c1-10(12-6-4-3-5-7-12)9-15-18-14-16-11(2)8-13(19)17-14/h3-10H,1-2H3,(H2,16,17,18,19)/b15-9+.
What are the key properties of 4-methyl-2-[(2E)-2-(2-phenylpropylidene)hydrazinyl]-1H-pyrimidin-6-one?
4-methyl-2-[(2E)-2-(2-phenylpropylidene)hydrazinyl]-1H-pyrimidin-6-one has a molecular weight of 256.31 g/mol, XLogP of 2.28, 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-(2-phenylpropylidene)hydrazinyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 135412004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).