N'-(5-amino-6-naphthalen-2-yloxypyrimidin-4-yl)-4-methylbenzohydrazide

C22H19N5O2 — CID 22543710

IUPACN'-(5-amino-6-naphthalen-2-yloxypyrimidin-4-yl)-4-methylbenzohydrazide
SMILESCc1ccc(C(=O)NNc2ncnc(Oc3ccc4ccccc4c3)c2N)cc1
InChIInChI=1S/C22H19N5O2/c1-14-6-8-16(9-7-14)21(28)27-26-20-19(23)22(25-13-24-20)29-18-11-10-15-4-2-3-5-17(15)12-18/h2-13H,23H2,1H3,(H,27,28)(H,24,25,26)
InChIKeyBAYKKAGDEOXPMG-UHFFFAOYSA-N
MW385.43 g/mol
LogP4.07
Rot. Bonds5

About N'-(5-amino-6-naphthalen-2-yloxypyrimidin-4-yl)-4-methylbenzohydrazide

N'-(5-amino-6-naphthalen-2-yloxypyrimidin-4-yl)-4-methylbenzohydrazide (PubChem CID 22543710) has the molecular formula C22H19N5O2 and a molecular weight of 385.43 g/mol. Its IUPAC name is N'-(5-amino-6-naphthalen-2-yloxypyrimidin-4-yl)-4-methylbenzohydrazide.

Molecular Properties

Compound NameN'-(5-amino-6-naphthalen-2-yloxypyrimidin-4-yl)-4-methylbenzohydrazide
PubChem CID22543710
Molecular FormulaC22H19N5O2
Molecular Weight385.43 g/mol
Exact Mass385.15
IUPAC NameN'-(5-amino-6-naphthalen-2-yloxypyrimidin-4-yl)-4-methylbenzohydrazide
SMILESCc1ccc(C(=O)NNc2ncnc(Oc3ccc4ccccc4c3)c2N)cc1
InChIInChI=1S/C22H19N5O2/c1-14-6-8-16(9-7-14)21(28)27-26-20-19(23)22(25-13-24-20)29-18-11-10-15-4-2-3-5-17(15)12-18/h2-13H,23H2,1H3,(H,27,28)(H,24,25,26)
InChIKeyBAYKKAGDEOXPMG-UHFFFAOYSA-N
XLogP4.07
TPSA102.16 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.43
LogP ≤ 54.07
H-Bond Donors ≤ 53
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'-[5-amino-6-(3,4-dimethylphenoxy)pyrimidin-4-yl]-4-methoxybenzohydrazide
CID 19151802
N'-[5-amino-6-(4-methoxyphenoxy)pyrimidin-4-yl]-4-methoxybenzohydrazide
CID 19151807
N'-[5-amino-6-(4-chloro-3-methylphenoxy)pyrimidin-4-yl]benzohydrazide
CID 19150655
N'-[5-amino-6-(4-propan-2-ylphenoxy)pyrimidin-4-yl]-4-methoxybenzohydrazide
CID 19138799
N'-[5-amino-6-(3,4-dimethylphenoxy)pyrimidin-4-yl]-2-methoxybenzohydrazide
CID 19151504
N'-[5-amino-6-[2-(4-methoxybenzoyl)hydrazinyl]pyrimidin-4-yl]-4-methoxybenzohydrazide
CID 19151744
4-naphthalen-2-yloxy-6-(2-phenylhydrazinyl)pyrimidin-5-amine
CID 22543654
N'-(5-amino-6-naphthalen-1-yloxypyrimidin-4-yl)-4-chlorobenzohydrazide
CID 22541478
N'-(5-amino-6-pyridin-3-yloxypyrimidin-4-yl)benzohydrazide
CID 19150656
N'-[5-amino-6-(4-chloro-3,5-dimethylphenoxy)pyrimidin-4-yl]pyridine-4-carbohydrazide
CID 19151839
N'-[5-amino-6-[2-(4-chlorobenzoyl)hydrazinyl]pyrimidin-4-yl]-4-methylbenzohydrazide
CID 19150707
1-[3-[(5-amino-6-naphthalen-2-yloxypyrimidin-4-yl)amino]phenyl]ethanone
CID 22543595

Frequently Asked Questions

What is the IUPAC name of N'-(5-amino-6-naphthalen-2-yloxypyrimidin-4-yl)-4-methylbenzohydrazide?
The IUPAC name of N'-(5-amino-6-naphthalen-2-yloxypyrimidin-4-yl)-4-methylbenzohydrazide (CID 22543710) is N'-(5-amino-6-naphthalen-2-yloxypyrimidin-4-yl)-4-methylbenzohydrazide.
What is the SMILES notation for N'-(5-amino-6-naphthalen-2-yloxypyrimidin-4-yl)-4-methylbenzohydrazide?
The canonical SMILES for N'-(5-amino-6-naphthalen-2-yloxypyrimidin-4-yl)-4-methylbenzohydrazide is Cc1ccc(C(=O)NNc2ncnc(Oc3ccc4ccccc4c3)c2N)cc1.
What is the InChIKey of N'-(5-amino-6-naphthalen-2-yloxypyrimidin-4-yl)-4-methylbenzohydrazide?
The InChIKey is BAYKKAGDEOXPMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O2/c1-14-6-8-16(9-7-14)21(28)27-26-20-19(23)22(25-13-24-20)29-18-11-10-15-4-2-3-5-17(15)12-18/h2-13H,23H2,1H3,(H,27,28)(H,24,25,26).
What are the key properties of N'-(5-amino-6-naphthalen-2-yloxypyrimidin-4-yl)-4-methylbenzohydrazide?
N'-(5-amino-6-naphthalen-2-yloxypyrimidin-4-yl)-4-methylbenzohydrazide has a molecular weight of 385.43 g/mol, XLogP of 4.07, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-amino-6-naphthalen-2-yloxypyrimidin-4-yl)-4-methylbenzohydrazide is sourced from PubChem (CID 22543710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).