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

C15H20N4O — CID 135443251

IUPAC2-[2-(2-adamantylidene)hydrazinyl]-4-methyl-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(NN=C2C3CC4CC(C3)CC2C4)n1
InChIInChI=1S/C15H20N4O/c1-8-2-13(20)17-15(16-8)19-18-14-11-4-9-3-10(6-11)7-12(14)5-9/h2,9-12H,3-7H2,1H3,(H2,16,17,19,20)/b18-14-
InChIKeyXTDQQQFNZOWKGE-JXAWBTAJSA-N
MW272.35 g/mol
LogP2.30
Rot. Bonds2

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

2-[2-(2-adamantylidene)hydrazinyl]-4-methyl-1H-pyrimidin-6-one (PubChem CID 135443251) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-[2-(2-adamantylidene)hydrazinyl]-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[2-(2-adamantylidene)hydrazinyl]-4-methyl-1H-pyrimidin-6-one
PubChem CID135443251
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name2-[2-(2-adamantylidene)hydrazinyl]-4-methyl-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(NN=C2C3CC4CC(C3)CC2C4)n1
InChIInChI=1S/C15H20N4O/c1-8-2-13(20)17-15(16-8)19-18-14-11-4-9-3-10(6-11)7-12(14)5-9/h2,9-12H,3-7H2,1H3,(H2,16,17,19,20)/b18-14-
InChIKeyXTDQQQFNZOWKGE-JXAWBTAJSA-N
XLogP2.30
TPSA70.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.30
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-[2-(2-adamantylidene)hydrazinyl]-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[2-(2-adamantylidene)hydrazinyl]-4-methyl-1H-pyrimidin-6-one (CID 135443251) is 2-[2-(2-adamantylidene)hydrazinyl]-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[2-(2-adamantylidene)hydrazinyl]-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[2-(2-adamantylidene)hydrazinyl]-4-methyl-1H-pyrimidin-6-one is Cc1cc(=O)[nH]c(NN=C2C3CC4CC(C3)CC2C4)n1.
What is the InChIKey of 2-[2-(2-adamantylidene)hydrazinyl]-4-methyl-1H-pyrimidin-6-one?
The InChIKey is XTDQQQFNZOWKGE-JXAWBTAJSA-N. The full InChI is InChI=1S/C15H20N4O/c1-8-2-13(20)17-15(16-8)19-18-14-11-4-9-3-10(6-11)7-12(14)5-9/h2,9-12H,3-7H2,1H3,(H2,16,17,19,20)/b18-14-.
What are the key properties of 2-[2-(2-adamantylidene)hydrazinyl]-4-methyl-1H-pyrimidin-6-one?
2-[2-(2-adamantylidene)hydrazinyl]-4-methyl-1H-pyrimidin-6-one has a molecular weight of 272.35 g/mol, XLogP of 2.30, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-adamantylidene)hydrazinyl]-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135443251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).