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

C9H14N4O — CID 135460316

IUPAC4-methyl-2-[(2E)-2-(2-methylpropylidene)hydrazinyl]-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(N/N=C/C(C)C)n1
InChIInChI=1S/C9H14N4O/c1-6(2)5-10-13-9-11-7(3)4-8(14)12-9/h4-6H,1-3H3,(H2,11,12,13,14)/b10-5+
InChIKeyTXSXLZCDJHTVGF-BJMVGYQFSA-N
MW194.24 g/mol
LogP1.13
Rot. Bonds3

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

4-methyl-2-[(2E)-2-(2-methylpropylidene)hydrazinyl]-1H-pyrimidin-6-one (PubChem CID 135460316) has the molecular formula C9H14N4O and a molecular weight of 194.24 g/mol. Its IUPAC name is 4-methyl-2-[(2E)-2-(2-methylpropylidene)hydrazinyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-methyl-2-[(2E)-2-(2-methylpropylidene)hydrazinyl]-1H-pyrimidin-6-one
PubChem CID135460316
Molecular FormulaC9H14N4O
Molecular Weight194.24 g/mol
Exact Mass194.12
IUPAC Name4-methyl-2-[(2E)-2-(2-methylpropylidene)hydrazinyl]-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(N/N=C/C(C)C)n1
InChIInChI=1S/C9H14N4O/c1-6(2)5-10-13-9-11-7(3)4-8(14)12-9/h4-6H,1-3H3,(H2,11,12,13,14)/b10-5+
InChIKeyTXSXLZCDJHTVGF-BJMVGYQFSA-N
XLogP1.13
TPSA70.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 51.13
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-(2-methylpropylidene)hydrazinyl]-1H-pyrimidin-6-one?
The IUPAC name of 4-methyl-2-[(2E)-2-(2-methylpropylidene)hydrazinyl]-1H-pyrimidin-6-one (CID 135460316) is 4-methyl-2-[(2E)-2-(2-methylpropylidene)hydrazinyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-methyl-2-[(2E)-2-(2-methylpropylidene)hydrazinyl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-methyl-2-[(2E)-2-(2-methylpropylidene)hydrazinyl]-1H-pyrimidin-6-one is Cc1cc(=O)[nH]c(N/N=C/C(C)C)n1.
What is the InChIKey of 4-methyl-2-[(2E)-2-(2-methylpropylidene)hydrazinyl]-1H-pyrimidin-6-one?
The InChIKey is TXSXLZCDJHTVGF-BJMVGYQFSA-N. The full InChI is InChI=1S/C9H14N4O/c1-6(2)5-10-13-9-11-7(3)4-8(14)12-9/h4-6H,1-3H3,(H2,11,12,13,14)/b10-5+.
What are the key properties of 4-methyl-2-[(2E)-2-(2-methylpropylidene)hydrazinyl]-1H-pyrimidin-6-one?
4-methyl-2-[(2E)-2-(2-methylpropylidene)hydrazinyl]-1H-pyrimidin-6-one has a molecular weight of 194.24 g/mol, XLogP of 1.13, 3 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-methylpropylidene)hydrazinyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 135460316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).