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

C13H15N5O2 — CID 26121927

IUPACN'-(4,6-dimethylpyrimidin-2-yl)-6-methoxypyridine-3-carbohydrazide
SMILESCOc1ccc(C(=O)NNc2nc(C)cc(C)n2)cn1
InChIInChI=1S/C13H15N5O2/c1-8-6-9(2)16-13(15-8)18-17-12(19)10-4-5-11(20-3)14-7-10/h4-7H,1-3H3,(H,17,19)(H,15,16,18)
InChIKeyBMZDTJKVROFGPE-UHFFFAOYSA-N
MW273.30 g/mol
LogP1.25
Rot. Bonds4

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

N'-(4,6-dimethylpyrimidin-2-yl)-6-methoxypyridine-3-carbohydrazide (PubChem CID 26121927) has the molecular formula C13H15N5O2 and a molecular weight of 273.30 g/mol. Its IUPAC name is N'-(4,6-dimethylpyrimidin-2-yl)-6-methoxypyridine-3-carbohydrazide.

Molecular Properties

Compound NameN'-(4,6-dimethylpyrimidin-2-yl)-6-methoxypyridine-3-carbohydrazide
PubChem CID26121927
Molecular FormulaC13H15N5O2
Molecular Weight273.30 g/mol
Exact Mass273.12
IUPAC NameN'-(4,6-dimethylpyrimidin-2-yl)-6-methoxypyridine-3-carbohydrazide
SMILESCOc1ccc(C(=O)NNc2nc(C)cc(C)n2)cn1
InChIInChI=1S/C13H15N5O2/c1-8-6-9(2)16-13(15-8)18-17-12(19)10-4-5-11(20-3)14-7-10/h4-7H,1-3H3,(H,17,19)(H,15,16,18)
InChIKeyBMZDTJKVROFGPE-UHFFFAOYSA-N
XLogP1.25
TPSA89.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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)-6-methoxypyridine-3-carbohydrazide?
The IUPAC name of N'-(4,6-dimethylpyrimidin-2-yl)-6-methoxypyridine-3-carbohydrazide (CID 26121927) is N'-(4,6-dimethylpyrimidin-2-yl)-6-methoxypyridine-3-carbohydrazide.
What is the SMILES notation for N'-(4,6-dimethylpyrimidin-2-yl)-6-methoxypyridine-3-carbohydrazide?
The canonical SMILES for N'-(4,6-dimethylpyrimidin-2-yl)-6-methoxypyridine-3-carbohydrazide is COc1ccc(C(=O)NNc2nc(C)cc(C)n2)cn1.
What is the InChIKey of N'-(4,6-dimethylpyrimidin-2-yl)-6-methoxypyridine-3-carbohydrazide?
The InChIKey is BMZDTJKVROFGPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O2/c1-8-6-9(2)16-13(15-8)18-17-12(19)10-4-5-11(20-3)14-7-10/h4-7H,1-3H3,(H,17,19)(H,15,16,18).
What are the key properties of N'-(4,6-dimethylpyrimidin-2-yl)-6-methoxypyridine-3-carbohydrazide?
N'-(4,6-dimethylpyrimidin-2-yl)-6-methoxypyridine-3-carbohydrazide has a molecular weight of 273.30 g/mol, XLogP of 1.25, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4,6-dimethylpyrimidin-2-yl)-6-methoxypyridine-3-carbohydrazide is sourced from PubChem (CID 26121927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).