N'-(5-amino-6-hydrazinylpyrimidin-4-yl)-4-methoxybenzohydrazide

C12H15N7O2 — CID 19150367

IUPACN'-(5-amino-6-hydrazinylpyrimidin-4-yl)-4-methoxybenzohydrazide
SMILESCOc1ccc(C(=O)NNc2ncnc(NN)c2N)cc1
InChIInChI=1S/C12H15N7O2/c1-21-8-4-2-7(3-5-8)12(20)19-18-11-9(13)10(17-14)15-6-16-11/h2-6H,13-14H2,1H3,(H,19,20)(H2,15,16,17,18)
InChIKeyXPCZOINZDZKEON-UHFFFAOYSA-N
MW289.30 g/mol
LogP0.11
Rot. Bonds5

About N'-(5-amino-6-hydrazinylpyrimidin-4-yl)-4-methoxybenzohydrazide

N'-(5-amino-6-hydrazinylpyrimidin-4-yl)-4-methoxybenzohydrazide (PubChem CID 19150367) has the molecular formula C12H15N7O2 and a molecular weight of 289.30 g/mol. Its IUPAC name is N'-(5-amino-6-hydrazinylpyrimidin-4-yl)-4-methoxybenzohydrazide.

Molecular Properties

Compound NameN'-(5-amino-6-hydrazinylpyrimidin-4-yl)-4-methoxybenzohydrazide
PubChem CID19150367
Molecular FormulaC12H15N7O2
Molecular Weight289.30 g/mol
Exact Mass289.13
IUPAC NameN'-(5-amino-6-hydrazinylpyrimidin-4-yl)-4-methoxybenzohydrazide
SMILESCOc1ccc(C(=O)NNc2ncnc(NN)c2N)cc1
InChIInChI=1S/C12H15N7O2/c1-21-8-4-2-7(3-5-8)12(20)19-18-11-9(13)10(17-14)15-6-16-11/h2-6H,13-14H2,1H3,(H,19,20)(H2,15,16,17,18)
InChIKeyXPCZOINZDZKEON-UHFFFAOYSA-N
XLogP0.11
TPSA140.21 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 50.11
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N'-[5-amino-6-[2-(4-methoxybenzoyl)hydrazinyl]pyrimidin-4-yl]-4-methoxybenzohydrazide
CID 19151744
N'-[5-amino-6-(4-methoxyphenoxy)pyrimidin-4-yl]-4-methoxybenzohydrazide
CID 19151807
N'-[5-amino-6-(pyridin-4-ylamino)pyrimidin-4-yl]-4-methoxybenzohydrazide
CID 22543504
N'-[5-amino-6-[2-(2-phenylacetyl)hydrazinyl]pyrimidin-4-yl]-4-methoxybenzohydrazide
CID 19151751
4-[[5-amino-6-[2-(4-methoxybenzoyl)hydrazinyl]pyrimidin-4-yl]amino]benzoic acid
CID 19151801
N'-(5-amino-6-hydrazinylpyrimidin-4-yl)pyridine-4-carbohydrazide
CID 19150368
N'-[5-amino-6-(2-fluoroanilino)pyrimidin-4-yl]-4-methoxybenzohydrazide
CID 19145195
N'-[5-amino-6-(3,4-dimethylphenoxy)pyrimidin-4-yl]-4-methoxybenzohydrazide
CID 19151802
N'-[5-amino-6-(4-propan-2-ylphenoxy)pyrimidin-4-yl]-4-methoxybenzohydrazide
CID 19138799
N'-[5-amino-6-[2-(trifluoromethyl)anilino]pyrimidin-4-yl]-4-methoxybenzohydrazide
CID 22545649
N'-[5-amino-6-(2,5-dimethoxyanilino)pyrimidin-4-yl]-4-bromobenzohydrazide
CID 19142738
N'-[5-amino-6-(2,5-dimethoxyanilino)pyrimidin-4-yl]benzohydrazide
CID 19142733

Frequently Asked Questions

What is the IUPAC name of N'-(5-amino-6-hydrazinylpyrimidin-4-yl)-4-methoxybenzohydrazide?
The IUPAC name of N'-(5-amino-6-hydrazinylpyrimidin-4-yl)-4-methoxybenzohydrazide (CID 19150367) is N'-(5-amino-6-hydrazinylpyrimidin-4-yl)-4-methoxybenzohydrazide.
What is the SMILES notation for N'-(5-amino-6-hydrazinylpyrimidin-4-yl)-4-methoxybenzohydrazide?
The canonical SMILES for N'-(5-amino-6-hydrazinylpyrimidin-4-yl)-4-methoxybenzohydrazide is COc1ccc(C(=O)NNc2ncnc(NN)c2N)cc1.
What is the InChIKey of N'-(5-amino-6-hydrazinylpyrimidin-4-yl)-4-methoxybenzohydrazide?
The InChIKey is XPCZOINZDZKEON-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N7O2/c1-21-8-4-2-7(3-5-8)12(20)19-18-11-9(13)10(17-14)15-6-16-11/h2-6H,13-14H2,1H3,(H,19,20)(H2,15,16,17,18).
What are the key properties of N'-(5-amino-6-hydrazinylpyrimidin-4-yl)-4-methoxybenzohydrazide?
N'-(5-amino-6-hydrazinylpyrimidin-4-yl)-4-methoxybenzohydrazide has a molecular weight of 289.30 g/mol, XLogP of 0.11, 5 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-amino-6-hydrazinylpyrimidin-4-yl)-4-methoxybenzohydrazide is sourced from PubChem (CID 19150367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).