1-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]-5-methylpyrimidin-2-one

C11H14N6O — CID 80656136

IUPAC1-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]-5-methylpyrimidin-2-one
SMILESCc1cnc(=O)n(Cc2nc(C)cc(NN)n2)c1
InChIInChI=1S/C11H14N6O/c1-7-4-13-11(18)17(5-7)6-10-14-8(2)3-9(15-10)16-12/h3-5H,6,12H2,1-2H3,(H,14,15,16)
InChIKeyTTXYUYCAVQTERV-UHFFFAOYSA-N
MW246.27 g/mol
LogP-0.02
Rot. Bonds3

About 1-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]-5-methylpyrimidin-2-one

1-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]-5-methylpyrimidin-2-one (PubChem CID 80656136) has the molecular formula C11H14N6O and a molecular weight of 246.27 g/mol. Its IUPAC name is 1-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]-5-methylpyrimidin-2-one.

Molecular Properties

Compound Name1-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]-5-methylpyrimidin-2-one
PubChem CID80656136
Molecular FormulaC11H14N6O
Molecular Weight246.27 g/mol
Exact Mass246.12
IUPAC Name1-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]-5-methylpyrimidin-2-one
SMILESCc1cnc(=O)n(Cc2nc(C)cc(NN)n2)c1
InChIInChI=1S/C11H14N6O/c1-7-4-13-11(18)17(5-7)6-10-14-8(2)3-9(15-10)16-12/h3-5H,6,12H2,1-2H3,(H,14,15,16)
InChIKeyTTXYUYCAVQTERV-UHFFFAOYSA-N
XLogP-0.02
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', '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 1-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]-5-methylpyrimidin-2-one?
The IUPAC name of 1-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]-5-methylpyrimidin-2-one (CID 80656136) is 1-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]-5-methylpyrimidin-2-one.
What is the SMILES notation for 1-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]-5-methylpyrimidin-2-one?
The canonical SMILES for 1-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]-5-methylpyrimidin-2-one is Cc1cnc(=O)n(Cc2nc(C)cc(NN)n2)c1.
What is the InChIKey of 1-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]-5-methylpyrimidin-2-one?
The InChIKey is TTXYUYCAVQTERV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N6O/c1-7-4-13-11(18)17(5-7)6-10-14-8(2)3-9(15-10)16-12/h3-5H,6,12H2,1-2H3,(H,14,15,16).
What are the key properties of 1-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]-5-methylpyrimidin-2-one?
1-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]-5-methylpyrimidin-2-one has a molecular weight of 246.27 g/mol, XLogP of -0.02, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]-5-methylpyrimidin-2-one is sourced from PubChem (CID 80656136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).