2-(2-bromo-4-methylphenoxy)-N'-(4-methoxypyrimidin-2-yl)propanehydrazide

C15H17BrN4O3 — CID 60509666

IUPAC2-(2-bromo-4-methylphenoxy)-N'-(4-methoxypyrimidin-2-yl)propanehydrazide
SMILESCOc1ccnc(NNC(=O)C(C)Oc2ccc(C)cc2Br)n1
InChIInChI=1S/C15H17BrN4O3/c1-9-4-5-12(11(16)8-9)23-10(2)14(21)19-20-15-17-7-6-13(18-15)22-3/h4-8,10H,1-3H3,(H,19,21)(H,17,18,20)
InChIKeyFIRGYAAHTAVGJS-UHFFFAOYSA-N
MW381.23 g/mol
LogP2.47
Rot. Bonds6

About 2-(2-bromo-4-methylphenoxy)-N'-(4-methoxypyrimidin-2-yl)propanehydrazide

2-(2-bromo-4-methylphenoxy)-N'-(4-methoxypyrimidin-2-yl)propanehydrazide (PubChem CID 60509666) has the molecular formula C15H17BrN4O3 and a molecular weight of 381.23 g/mol. Its IUPAC name is 2-(2-bromo-4-methylphenoxy)-N'-(4-methoxypyrimidin-2-yl)propanehydrazide.

Molecular Properties

Compound Name2-(2-bromo-4-methylphenoxy)-N'-(4-methoxypyrimidin-2-yl)propanehydrazide
PubChem CID60509666
Molecular FormulaC15H17BrN4O3
Molecular Weight381.23 g/mol
Exact Mass380.05
IUPAC Name2-(2-bromo-4-methylphenoxy)-N'-(4-methoxypyrimidin-2-yl)propanehydrazide
SMILESCOc1ccnc(NNC(=O)C(C)Oc2ccc(C)cc2Br)n1
InChIInChI=1S/C15H17BrN4O3/c1-9-4-5-12(11(16)8-9)23-10(2)14(21)19-20-15-17-7-6-13(18-15)22-3/h4-8,10H,1-3H3,(H,19,21)(H,17,18,20)
InChIKeyFIRGYAAHTAVGJS-UHFFFAOYSA-N
XLogP2.47
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.23
LogP ≤ 52.47
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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Related Compounds

N'-(4-methoxypyrimidin-2-yl)-2-(2-methyl-5-propan-2-ylphenoxy)propanehydrazide
CID 60509664
2-(2-bromo-4-methylphenoxy)-N-[2-(pyrimidin-2-ylamino)ethyl]propanamide
CID 47055671
2-(2-bromo-4-methylphenoxy)propanehydrazide
CID 2789718
N'-[(2S)-2-(2-bromo-4-methylphenoxy)propanoyl]pyridine-2-carbohydrazide
CID 51958934
(2R)-2-(2-bromo-4-methylphenoxy)-N-ethylpropanamide
CID 8643879
2-(2-bromo-4-methylphenoxy)-N-(2,4,6-trimethyl-3-pyridinyl)propanamide
CID 78888618
(2R)-2-(2-bromo-4-methylphenoxy)-N-(4,5-dimethoxy-2-methylphenyl)propanamide
CID 51958225
2-(4-methoxyphenyl)sulfanyl-N'-(4-methoxypyrimidin-2-yl)propanehydrazide
CID 47055077
N'-[2-(2-bromo-4-methylphenoxy)propanoyl]-3-methoxy-4-propoxybenzohydrazide
CID 46491239
2-(2-bromo-4-methylphenoxy)-N-[(2-ethoxy-3-pyridinyl)methyl]propanamide
CID 55774550
2-(2-bromo-4-methylphenoxy)-N-(3-hydroxypropyl)propanamide
CID 78888648
N-[(2S)-1-aminopropan-2-yl]-2-(2-bromo-4-methylphenoxy)propanamide
CID 120508965

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-methylphenoxy)-N'-(4-methoxypyrimidin-2-yl)propanehydrazide?
The IUPAC name of 2-(2-bromo-4-methylphenoxy)-N'-(4-methoxypyrimidin-2-yl)propanehydrazide (CID 60509666) is 2-(2-bromo-4-methylphenoxy)-N'-(4-methoxypyrimidin-2-yl)propanehydrazide.
What is the SMILES notation for 2-(2-bromo-4-methylphenoxy)-N'-(4-methoxypyrimidin-2-yl)propanehydrazide?
The canonical SMILES for 2-(2-bromo-4-methylphenoxy)-N'-(4-methoxypyrimidin-2-yl)propanehydrazide is COc1ccnc(NNC(=O)C(C)Oc2ccc(C)cc2Br)n1.
What is the InChIKey of 2-(2-bromo-4-methylphenoxy)-N'-(4-methoxypyrimidin-2-yl)propanehydrazide?
The InChIKey is FIRGYAAHTAVGJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN4O3/c1-9-4-5-12(11(16)8-9)23-10(2)14(21)19-20-15-17-7-6-13(18-15)22-3/h4-8,10H,1-3H3,(H,19,21)(H,17,18,20).
What are the key properties of 2-(2-bromo-4-methylphenoxy)-N'-(4-methoxypyrimidin-2-yl)propanehydrazide?
2-(2-bromo-4-methylphenoxy)-N'-(4-methoxypyrimidin-2-yl)propanehydrazide has a molecular weight of 381.23 g/mol, XLogP of 2.47, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-methylphenoxy)-N'-(4-methoxypyrimidin-2-yl)propanehydrazide is sourced from PubChem (CID 60509666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).