N'-[5-amino-6-(pyridin-4-ylamino)pyrimidin-4-yl]-4-methoxybenzohydrazide

C17H17N7O2 — CID 22543504

IUPACN'-[5-amino-6-(pyridin-4-ylamino)pyrimidin-4-yl]-4-methoxybenzohydrazide
SMILESCOc1ccc(C(=O)NNc2ncnc(Nc3ccncc3)c2N)cc1
InChIInChI=1S/C17H17N7O2/c1-26-13-4-2-11(3-5-13)17(25)24-23-16-14(18)15(20-10-21-16)22-12-6-8-19-9-7-12/h2-10H,18H2,1H3,(H,24,25)(H2,19,20,21,22,23)
InChIKeyYIRUNJZLMFXIGL-UHFFFAOYSA-N
MW351.37 g/mol
LogP1.96
Rot. Bonds6

About N'-[5-amino-6-(pyridin-4-ylamino)pyrimidin-4-yl]-4-methoxybenzohydrazide

N'-[5-amino-6-(pyridin-4-ylamino)pyrimidin-4-yl]-4-methoxybenzohydrazide (PubChem CID 22543504) has the molecular formula C17H17N7O2 and a molecular weight of 351.37 g/mol. Its IUPAC name is N'-[5-amino-6-(pyridin-4-ylamino)pyrimidin-4-yl]-4-methoxybenzohydrazide.

Molecular Properties

Compound NameN'-[5-amino-6-(pyridin-4-ylamino)pyrimidin-4-yl]-4-methoxybenzohydrazide
PubChem CID22543504
Molecular FormulaC17H17N7O2
Molecular Weight351.37 g/mol
Exact Mass351.14
IUPAC NameN'-[5-amino-6-(pyridin-4-ylamino)pyrimidin-4-yl]-4-methoxybenzohydrazide
SMILESCOc1ccc(C(=O)NNc2ncnc(Nc3ccncc3)c2N)cc1
InChIInChI=1S/C17H17N7O2/c1-26-13-4-2-11(3-5-13)17(25)24-23-16-14(18)15(20-10-21-16)22-12-6-8-19-9-7-12/h2-10H,18H2,1H3,(H,24,25)(H2,19,20,21,22,23)
InChIKeyYIRUNJZLMFXIGL-UHFFFAOYSA-N
XLogP1.96
TPSA127.08 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.37
LogP ≤ 51.96
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

4-[[5-amino-6-[2-(4-methoxybenzoyl)hydrazinyl]pyrimidin-4-yl]amino]benzoic acid
CID 19151801
N'-[5-amino-6-[2-(4-methoxybenzoyl)hydrazinyl]pyrimidin-4-yl]-4-methoxybenzohydrazide
CID 19151744
N'-[5-amino-6-(4-ethoxyanilino)pyrimidin-4-yl]pyridine-4-carbohydrazide
CID 19149224
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-(4-methylanilino)pyrimidin-4-yl]-4-methylbenzohydrazide
CID 19148584
N'-[5-amino-6-(2-fluoroanilino)pyrimidin-4-yl]-4-methoxybenzohydrazide
CID 19145195
1-[4-[[5-amino-6-(4-methoxyanilino)pyrimidin-4-yl]amino]phenyl]ethanone
CID 19149093
N'-[5-amino-6-(4-methoxyanilino)pyrimidin-4-yl]-2-chlorobenzohydrazide
CID 19149115
N'-[5-amino-6-[2-(2-phenylacetyl)hydrazinyl]pyrimidin-4-yl]-4-methoxybenzohydrazide
CID 19151751
N'-[5-amino-6-(4-ethoxyanilino)pyrimidin-4-yl]-4-fluorobenzohydrazide
CID 19149215
N'-[5-amino-6-[2-(trifluoromethyl)anilino]pyrimidin-4-yl]-4-methoxybenzohydrazide
CID 22545649

Frequently Asked Questions

What is the IUPAC name of N'-[5-amino-6-(pyridin-4-ylamino)pyrimidin-4-yl]-4-methoxybenzohydrazide?
The IUPAC name of N'-[5-amino-6-(pyridin-4-ylamino)pyrimidin-4-yl]-4-methoxybenzohydrazide (CID 22543504) is N'-[5-amino-6-(pyridin-4-ylamino)pyrimidin-4-yl]-4-methoxybenzohydrazide.
What is the SMILES notation for N'-[5-amino-6-(pyridin-4-ylamino)pyrimidin-4-yl]-4-methoxybenzohydrazide?
The canonical SMILES for N'-[5-amino-6-(pyridin-4-ylamino)pyrimidin-4-yl]-4-methoxybenzohydrazide is COc1ccc(C(=O)NNc2ncnc(Nc3ccncc3)c2N)cc1.
What is the InChIKey of N'-[5-amino-6-(pyridin-4-ylamino)pyrimidin-4-yl]-4-methoxybenzohydrazide?
The InChIKey is YIRUNJZLMFXIGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N7O2/c1-26-13-4-2-11(3-5-13)17(25)24-23-16-14(18)15(20-10-21-16)22-12-6-8-19-9-7-12/h2-10H,18H2,1H3,(H,24,25)(H2,19,20,21,22,23).
What are the key properties of N'-[5-amino-6-(pyridin-4-ylamino)pyrimidin-4-yl]-4-methoxybenzohydrazide?
N'-[5-amino-6-(pyridin-4-ylamino)pyrimidin-4-yl]-4-methoxybenzohydrazide has a molecular weight of 351.37 g/mol, XLogP of 1.96, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[5-amino-6-(pyridin-4-ylamino)pyrimidin-4-yl]-4-methoxybenzohydrazide is sourced from PubChem (CID 22543504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).