N'-(4,6-dimethylpyrimidin-2-yl)-3-methoxybenzohydrazide

C14H16N4O2 — CID 585625

IUPACN'-(4,6-dimethylpyrimidin-2-yl)-3-methoxybenzohydrazide
SMILESCOc1cccc(C(=O)NNc2nc(C)cc(C)n2)c1
InChIInChI=1S/C14H16N4O2/c1-9-7-10(2)16-14(15-9)18-17-13(19)11-5-4-6-12(8-11)20-3/h4-8H,1-3H3,(H,17,19)(H,15,16,18)
InChIKeyLXYIOJYMBFGFEN-UHFFFAOYSA-N
MW272.31 g/mol
LogP1.86
Rot. Bonds4

About N'-(4,6-dimethylpyrimidin-2-yl)-3-methoxybenzohydrazide

N'-(4,6-dimethylpyrimidin-2-yl)-3-methoxybenzohydrazide (PubChem CID 585625) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is N'-(4,6-dimethylpyrimidin-2-yl)-3-methoxybenzohydrazide.

Molecular Properties

Compound NameN'-(4,6-dimethylpyrimidin-2-yl)-3-methoxybenzohydrazide
PubChem CID585625
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC NameN'-(4,6-dimethylpyrimidin-2-yl)-3-methoxybenzohydrazide
SMILESCOc1cccc(C(=O)NNc2nc(C)cc(C)n2)c1
InChIInChI=1S/C14H16N4O2/c1-9-7-10(2)16-14(15-9)18-17-13(19)11-5-4-6-12(8-11)20-3/h4-8H,1-3H3,(H,17,19)(H,15,16,18)
InChIKeyLXYIOJYMBFGFEN-UHFFFAOYSA-N
XLogP1.86
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(4,6-dimethylpyrimidin-2-yl)-3-methoxybenzohydrazide?
The IUPAC name of N'-(4,6-dimethylpyrimidin-2-yl)-3-methoxybenzohydrazide (CID 585625) is N'-(4,6-dimethylpyrimidin-2-yl)-3-methoxybenzohydrazide.
What is the SMILES notation for N'-(4,6-dimethylpyrimidin-2-yl)-3-methoxybenzohydrazide?
The canonical SMILES for N'-(4,6-dimethylpyrimidin-2-yl)-3-methoxybenzohydrazide is COc1cccc(C(=O)NNc2nc(C)cc(C)n2)c1.
What is the InChIKey of N'-(4,6-dimethylpyrimidin-2-yl)-3-methoxybenzohydrazide?
The InChIKey is LXYIOJYMBFGFEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c1-9-7-10(2)16-14(15-9)18-17-13(19)11-5-4-6-12(8-11)20-3/h4-8H,1-3H3,(H,17,19)(H,15,16,18).
What are the key properties of N'-(4,6-dimethylpyrimidin-2-yl)-3-methoxybenzohydrazide?
N'-(4,6-dimethylpyrimidin-2-yl)-3-methoxybenzohydrazide has a molecular weight of 272.31 g/mol, XLogP of 1.86, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4,6-dimethylpyrimidin-2-yl)-3-methoxybenzohydrazide is sourced from PubChem (CID 585625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).