4-methyl-2-[(2E)-2-(3-phenylpropylidene)hydrazinyl]-1H-pyrimidin-6-one

C14H16N4O — CID 135412007

IUPAC4-methyl-2-[(2E)-2-(3-phenylpropylidene)hydrazinyl]-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(N/N=C/CCc2ccccc2)n1
InChIInChI=1S/C14H16N4O/c1-11-10-13(19)17-14(16-11)18-15-9-5-8-12-6-3-2-4-7-12/h2-4,6-7,9-10H,5,8H2,1H3,(H2,16,17,18,19)/b15-9+
InChIKeyDUEVNRVNYLKDSP-OQLLNIDSSA-N
MW256.31 g/mol
LogP2.11
Rot. Bonds5

About 4-methyl-2-[(2E)-2-(3-phenylpropylidene)hydrazinyl]-1H-pyrimidin-6-one

4-methyl-2-[(2E)-2-(3-phenylpropylidene)hydrazinyl]-1H-pyrimidin-6-one (PubChem CID 135412007) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is 4-methyl-2-[(2E)-2-(3-phenylpropylidene)hydrazinyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-methyl-2-[(2E)-2-(3-phenylpropylidene)hydrazinyl]-1H-pyrimidin-6-one
PubChem CID135412007
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name4-methyl-2-[(2E)-2-(3-phenylpropylidene)hydrazinyl]-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(N/N=C/CCc2ccccc2)n1
InChIInChI=1S/C14H16N4O/c1-11-10-13(19)17-14(16-11)18-15-9-5-8-12-6-3-2-4-7-12/h2-4,6-7,9-10H,5,8H2,1H3,(H2,16,17,18,19)/b15-9+
InChIKeyDUEVNRVNYLKDSP-OQLLNIDSSA-N
XLogP2.11
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 ≤ 52.11
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-(3-phenylpropylidene)hydrazinyl]-1H-pyrimidin-6-one?
The IUPAC name of 4-methyl-2-[(2E)-2-(3-phenylpropylidene)hydrazinyl]-1H-pyrimidin-6-one (CID 135412007) is 4-methyl-2-[(2E)-2-(3-phenylpropylidene)hydrazinyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-methyl-2-[(2E)-2-(3-phenylpropylidene)hydrazinyl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-methyl-2-[(2E)-2-(3-phenylpropylidene)hydrazinyl]-1H-pyrimidin-6-one is Cc1cc(=O)[nH]c(N/N=C/CCc2ccccc2)n1.
What is the InChIKey of 4-methyl-2-[(2E)-2-(3-phenylpropylidene)hydrazinyl]-1H-pyrimidin-6-one?
The InChIKey is DUEVNRVNYLKDSP-OQLLNIDSSA-N. The full InChI is InChI=1S/C14H16N4O/c1-11-10-13(19)17-14(16-11)18-15-9-5-8-12-6-3-2-4-7-12/h2-4,6-7,9-10H,5,8H2,1H3,(H2,16,17,18,19)/b15-9+.
What are the key properties of 4-methyl-2-[(2E)-2-(3-phenylpropylidene)hydrazinyl]-1H-pyrimidin-6-one?
4-methyl-2-[(2E)-2-(3-phenylpropylidene)hydrazinyl]-1H-pyrimidin-6-one has a molecular weight of 256.31 g/mol, XLogP of 2.11, 5 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-(3-phenylpropylidene)hydrazinyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 135412007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).