4-methyl-2-[2-[(1-methyl-2-phenylindol-3-yl)methylidene]hydrazinyl]-1H-pyrimidin-6-one

C21H19N5O — CID 135543932

IUPAC4-methyl-2-[2-[(1-methyl-2-phenylindol-3-yl)methylidene]hydrazinyl]-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(NN=Cc2c(-c3ccccc3)n(C)c3ccccc23)n1
InChIInChI=1S/C21H19N5O/c1-14-12-19(27)24-21(23-14)25-22-13-17-16-10-6-7-11-18(16)26(2)20(17)15-8-4-3-5-9-15/h3-13H,1-2H3,(H2,23,24,25,27)
InChIKeyKXLJDXOBJMBMNZ-UHFFFAOYSA-N
MW357.42 g/mol
LogP3.68
Rot. Bonds4

About 4-methyl-2-[2-[(1-methyl-2-phenylindol-3-yl)methylidene]hydrazinyl]-1H-pyrimidin-6-one

4-methyl-2-[2-[(1-methyl-2-phenylindol-3-yl)methylidene]hydrazinyl]-1H-pyrimidin-6-one (PubChem CID 135543932) has the molecular formula C21H19N5O and a molecular weight of 357.42 g/mol. Its IUPAC name is 4-methyl-2-[2-[(1-methyl-2-phenylindol-3-yl)methylidene]hydrazinyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-methyl-2-[2-[(1-methyl-2-phenylindol-3-yl)methylidene]hydrazinyl]-1H-pyrimidin-6-one
PubChem CID135543932
Molecular FormulaC21H19N5O
Molecular Weight357.42 g/mol
Exact Mass357.16
IUPAC Name4-methyl-2-[2-[(1-methyl-2-phenylindol-3-yl)methylidene]hydrazinyl]-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(NN=Cc2c(-c3ccccc3)n(C)c3ccccc23)n1
InChIInChI=1S/C21H19N5O/c1-14-12-19(27)24-21(23-14)25-22-13-17-16-10-6-7-11-18(16)26(2)20(17)15-8-4-3-5-9-15/h3-13H,1-2H3,(H2,23,24,25,27)
InChIKeyKXLJDXOBJMBMNZ-UHFFFAOYSA-N
XLogP3.68
TPSA75.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.42
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[2-[(1-methyl-2-phenylindol-3-yl)methylidene]hydrazinyl]-1H-pyrimidin-6-one?
The IUPAC name of 4-methyl-2-[2-[(1-methyl-2-phenylindol-3-yl)methylidene]hydrazinyl]-1H-pyrimidin-6-one (CID 135543932) is 4-methyl-2-[2-[(1-methyl-2-phenylindol-3-yl)methylidene]hydrazinyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-methyl-2-[2-[(1-methyl-2-phenylindol-3-yl)methylidene]hydrazinyl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-methyl-2-[2-[(1-methyl-2-phenylindol-3-yl)methylidene]hydrazinyl]-1H-pyrimidin-6-one is Cc1cc(=O)[nH]c(NN=Cc2c(-c3ccccc3)n(C)c3ccccc23)n1.
What is the InChIKey of 4-methyl-2-[2-[(1-methyl-2-phenylindol-3-yl)methylidene]hydrazinyl]-1H-pyrimidin-6-one?
The InChIKey is KXLJDXOBJMBMNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O/c1-14-12-19(27)24-21(23-14)25-22-13-17-16-10-6-7-11-18(16)26(2)20(17)15-8-4-3-5-9-15/h3-13H,1-2H3,(H2,23,24,25,27).
What are the key properties of 4-methyl-2-[2-[(1-methyl-2-phenylindol-3-yl)methylidene]hydrazinyl]-1H-pyrimidin-6-one?
4-methyl-2-[2-[(1-methyl-2-phenylindol-3-yl)methylidene]hydrazinyl]-1H-pyrimidin-6-one has a molecular weight of 357.42 g/mol, XLogP of 3.68, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[2-[(1-methyl-2-phenylindol-3-yl)methylidene]hydrazinyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 135543932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).