2-[(2E)-2-[(Z)-3-phenylprop-2-enylidene]hydrazinyl]-4-propyl-1H-pyrimidin-6-one

C16H18N4O — CID 135412169

IUPAC2-[(2E)-2-[(Z)-3-phenylprop-2-enylidene]hydrazinyl]-4-propyl-1H-pyrimidin-6-one
SMILESCCCc1cc(=O)[nH]c(N/N=C/C=C\c2ccccc2)n1
InChIInChI=1S/C16H18N4O/c1-2-7-14-12-15(21)19-16(18-14)20-17-11-6-10-13-8-4-3-5-9-13/h3-6,8-12H,2,7H2,1H3,(H2,18,19,20,21)/b10-6-,17-11+
InChIKeyNWWCBMVYCWAMRD-UPWDGHCPSA-N
MW282.35 g/mol
LogP2.83
Rot. Bonds6

About 2-[(2E)-2-[(Z)-3-phenylprop-2-enylidene]hydrazinyl]-4-propyl-1H-pyrimidin-6-one

2-[(2E)-2-[(Z)-3-phenylprop-2-enylidene]hydrazinyl]-4-propyl-1H-pyrimidin-6-one (PubChem CID 135412169) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is 2-[(2E)-2-[(Z)-3-phenylprop-2-enylidene]hydrazinyl]-4-propyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[(2E)-2-[(Z)-3-phenylprop-2-enylidene]hydrazinyl]-4-propyl-1H-pyrimidin-6-one
PubChem CID135412169
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC Name2-[(2E)-2-[(Z)-3-phenylprop-2-enylidene]hydrazinyl]-4-propyl-1H-pyrimidin-6-one
SMILESCCCc1cc(=O)[nH]c(N/N=C/C=C\c2ccccc2)n1
InChIInChI=1S/C16H18N4O/c1-2-7-14-12-15(21)19-16(18-14)20-17-11-6-10-13-8-4-3-5-9-13/h3-6,8-12H,2,7H2,1H3,(H2,18,19,20,21)/b10-6-,17-11+
InChIKeyNWWCBMVYCWAMRD-UPWDGHCPSA-N
XLogP2.83
TPSA70.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.83
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 2-[(2E)-2-[(Z)-3-phenylprop-2-enylidene]hydrazinyl]-4-propyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[(2E)-2-[(Z)-3-phenylprop-2-enylidene]hydrazinyl]-4-propyl-1H-pyrimidin-6-one (CID 135412169) is 2-[(2E)-2-[(Z)-3-phenylprop-2-enylidene]hydrazinyl]-4-propyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[(2E)-2-[(Z)-3-phenylprop-2-enylidene]hydrazinyl]-4-propyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[(2E)-2-[(Z)-3-phenylprop-2-enylidene]hydrazinyl]-4-propyl-1H-pyrimidin-6-one is CCCc1cc(=O)[nH]c(N/N=C/C=C\c2ccccc2)n1.
What is the InChIKey of 2-[(2E)-2-[(Z)-3-phenylprop-2-enylidene]hydrazinyl]-4-propyl-1H-pyrimidin-6-one?
The InChIKey is NWWCBMVYCWAMRD-UPWDGHCPSA-N. The full InChI is InChI=1S/C16H18N4O/c1-2-7-14-12-15(21)19-16(18-14)20-17-11-6-10-13-8-4-3-5-9-13/h3-6,8-12H,2,7H2,1H3,(H2,18,19,20,21)/b10-6-,17-11+.
What are the key properties of 2-[(2E)-2-[(Z)-3-phenylprop-2-enylidene]hydrazinyl]-4-propyl-1H-pyrimidin-6-one?
2-[(2E)-2-[(Z)-3-phenylprop-2-enylidene]hydrazinyl]-4-propyl-1H-pyrimidin-6-one has a molecular weight of 282.35 g/mol, XLogP of 2.83, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2E)-2-[(Z)-3-phenylprop-2-enylidene]hydrazinyl]-4-propyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135412169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).