N'-[5-amino-6-[2-(4-methoxybenzoyl)hydrazinyl]pyrimidin-4-yl]-4-methoxybenzohydrazide

C20H21N7O4 — CID 19151744

IUPACN'-[5-amino-6-[2-(4-methoxybenzoyl)hydrazinyl]pyrimidin-4-yl]-4-methoxybenzohydrazide
SMILESCOc1ccc(C(=O)NNc2ncnc(NNC(=O)c3ccc(OC)cc3)c2N)cc1
InChIInChI=1S/C20H21N7O4/c1-30-14-7-3-12(4-8-14)19(28)26-24-17-16(21)18(23-11-22-17)25-27-20(29)13-5-9-15(31-2)10-6-13/h3-11H,21H2,1-2H3,(H,26,28)(H,27,29)(H2,22,23,24,25)
InChIKeyRLSWZQASMVVLCH-UHFFFAOYSA-N
MW423.43 g/mol
LogP1.59
Rot. Bonds8

About N'-[5-amino-6-[2-(4-methoxybenzoyl)hydrazinyl]pyrimidin-4-yl]-4-methoxybenzohydrazide

N'-[5-amino-6-[2-(4-methoxybenzoyl)hydrazinyl]pyrimidin-4-yl]-4-methoxybenzohydrazide (PubChem CID 19151744) has the molecular formula C20H21N7O4 and a molecular weight of 423.43 g/mol. Its IUPAC name is N'-[5-amino-6-[2-(4-methoxybenzoyl)hydrazinyl]pyrimidin-4-yl]-4-methoxybenzohydrazide.

Molecular Properties

Compound NameN'-[5-amino-6-[2-(4-methoxybenzoyl)hydrazinyl]pyrimidin-4-yl]-4-methoxybenzohydrazide
PubChem CID19151744
Molecular FormulaC20H21N7O4
Molecular Weight423.43 g/mol
Exact Mass423.17
IUPAC NameN'-[5-amino-6-[2-(4-methoxybenzoyl)hydrazinyl]pyrimidin-4-yl]-4-methoxybenzohydrazide
SMILESCOc1ccc(C(=O)NNc2ncnc(NNC(=O)c3ccc(OC)cc3)c2N)cc1
InChIInChI=1S/C20H21N7O4/c1-30-14-7-3-12(4-8-14)19(28)26-24-17-16(21)18(23-11-22-17)25-27-20(29)13-5-9-15(31-2)10-6-13/h3-11H,21H2,1-2H3,(H,26,28)(H,27,29)(H2,22,23,24,25)
InChIKeyRLSWZQASMVVLCH-UHFFFAOYSA-N
XLogP1.59
TPSA152.52 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.43
LogP ≤ 51.59
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

N'-(5-amino-6-hydrazinylpyrimidin-4-yl)-4-methoxybenzohydrazide
CID 19150367
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-(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
N'-[5-amino-6-[(6-methyl-1,3-benzothiazol-2-yl)amino]pyrimidin-4-yl]-4-methoxybenzohydrazide
CID 19150094

Frequently Asked Questions

What is the IUPAC name of N'-[5-amino-6-[2-(4-methoxybenzoyl)hydrazinyl]pyrimidin-4-yl]-4-methoxybenzohydrazide?
The IUPAC name of N'-[5-amino-6-[2-(4-methoxybenzoyl)hydrazinyl]pyrimidin-4-yl]-4-methoxybenzohydrazide (CID 19151744) is N'-[5-amino-6-[2-(4-methoxybenzoyl)hydrazinyl]pyrimidin-4-yl]-4-methoxybenzohydrazide.
What is the SMILES notation for N'-[5-amino-6-[2-(4-methoxybenzoyl)hydrazinyl]pyrimidin-4-yl]-4-methoxybenzohydrazide?
The canonical SMILES for N'-[5-amino-6-[2-(4-methoxybenzoyl)hydrazinyl]pyrimidin-4-yl]-4-methoxybenzohydrazide is COc1ccc(C(=O)NNc2ncnc(NNC(=O)c3ccc(OC)cc3)c2N)cc1.
What is the InChIKey of N'-[5-amino-6-[2-(4-methoxybenzoyl)hydrazinyl]pyrimidin-4-yl]-4-methoxybenzohydrazide?
The InChIKey is RLSWZQASMVVLCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N7O4/c1-30-14-7-3-12(4-8-14)19(28)26-24-17-16(21)18(23-11-22-17)25-27-20(29)13-5-9-15(31-2)10-6-13/h3-11H,21H2,1-2H3,(H,26,28)(H,27,29)(H2,22,23,24,25).
What are the key properties of N'-[5-amino-6-[2-(4-methoxybenzoyl)hydrazinyl]pyrimidin-4-yl]-4-methoxybenzohydrazide?
N'-[5-amino-6-[2-(4-methoxybenzoyl)hydrazinyl]pyrimidin-4-yl]-4-methoxybenzohydrazide has a molecular weight of 423.43 g/mol, XLogP of 1.59, 8 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[5-amino-6-[2-(4-methoxybenzoyl)hydrazinyl]pyrimidin-4-yl]-4-methoxybenzohydrazide is sourced from PubChem (CID 19151744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).