2-[(2E)-2-(1,3-diphenylpropylidene)hydrazinyl]-4-methyl-5-propyl-1H-pyrimidin-6-one

C23H26N4O — CID 135858151

IUPAC2-[(2E)-2-(1,3-diphenylpropylidene)hydrazinyl]-4-methyl-5-propyl-1H-pyrimidin-6-one
SMILESCCCc1c(C)nc(N/N=C(\CCc2ccccc2)c2ccccc2)[nH]c1=O
InChIInChI=1S/C23H26N4O/c1-3-10-20-17(2)24-23(25-22(20)28)27-26-21(19-13-8-5-9-14-19)16-15-18-11-6-4-7-12-18/h4-9,11-14H,3,10,15-16H2,1-2H3,(H2,24,25,27,28)/b26-21+
InChIKeyGJEQCBVKFUKLSB-YYADALCUSA-N
MW374.49 g/mol
LogP4.48
Rot. Bonds8

About 2-[(2E)-2-(1,3-diphenylpropylidene)hydrazinyl]-4-methyl-5-propyl-1H-pyrimidin-6-one

2-[(2E)-2-(1,3-diphenylpropylidene)hydrazinyl]-4-methyl-5-propyl-1H-pyrimidin-6-one (PubChem CID 135858151) has the molecular formula C23H26N4O and a molecular weight of 374.49 g/mol. Its IUPAC name is 2-[(2E)-2-(1,3-diphenylpropylidene)hydrazinyl]-4-methyl-5-propyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[(2E)-2-(1,3-diphenylpropylidene)hydrazinyl]-4-methyl-5-propyl-1H-pyrimidin-6-one
PubChem CID135858151
Molecular FormulaC23H26N4O
Molecular Weight374.49 g/mol
Exact Mass374.21
IUPAC Name2-[(2E)-2-(1,3-diphenylpropylidene)hydrazinyl]-4-methyl-5-propyl-1H-pyrimidin-6-one
SMILESCCCc1c(C)nc(N/N=C(\CCc2ccccc2)c2ccccc2)[nH]c1=O
InChIInChI=1S/C23H26N4O/c1-3-10-20-17(2)24-23(25-22(20)28)27-26-21(19-13-8-5-9-14-19)16-15-18-11-6-4-7-12-18/h4-9,11-14H,3,10,15-16H2,1-2H3,(H2,24,25,27,28)/b26-21+
InChIKeyGJEQCBVKFUKLSB-YYADALCUSA-N
XLogP4.48
TPSA70.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 54.48
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-(1,3-diphenylpropylidene)hydrazinyl]-4-methyl-5-propyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[(2E)-2-(1,3-diphenylpropylidene)hydrazinyl]-4-methyl-5-propyl-1H-pyrimidin-6-one (CID 135858151) is 2-[(2E)-2-(1,3-diphenylpropylidene)hydrazinyl]-4-methyl-5-propyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[(2E)-2-(1,3-diphenylpropylidene)hydrazinyl]-4-methyl-5-propyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[(2E)-2-(1,3-diphenylpropylidene)hydrazinyl]-4-methyl-5-propyl-1H-pyrimidin-6-one is CCCc1c(C)nc(N/N=C(\CCc2ccccc2)c2ccccc2)[nH]c1=O.
What is the InChIKey of 2-[(2E)-2-(1,3-diphenylpropylidene)hydrazinyl]-4-methyl-5-propyl-1H-pyrimidin-6-one?
The InChIKey is GJEQCBVKFUKLSB-YYADALCUSA-N. The full InChI is InChI=1S/C23H26N4O/c1-3-10-20-17(2)24-23(25-22(20)28)27-26-21(19-13-8-5-9-14-19)16-15-18-11-6-4-7-12-18/h4-9,11-14H,3,10,15-16H2,1-2H3,(H2,24,25,27,28)/b26-21+.
What are the key properties of 2-[(2E)-2-(1,3-diphenylpropylidene)hydrazinyl]-4-methyl-5-propyl-1H-pyrimidin-6-one?
2-[(2E)-2-(1,3-diphenylpropylidene)hydrazinyl]-4-methyl-5-propyl-1H-pyrimidin-6-one has a molecular weight of 374.49 g/mol, XLogP of 4.48, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2E)-2-(1,3-diphenylpropylidene)hydrazinyl]-4-methyl-5-propyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135858151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).