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

C18H19N7O2 — CID 19144360

IUPACN'-[5-amino-6-(2-phenylhydrazinyl)pyrimidin-4-yl]-2-methoxybenzohydrazide
SMILESCOc1ccccc1C(=O)NNc1ncnc(NNc2ccccc2)c1N
InChIInChI=1S/C18H19N7O2/c1-27-14-10-6-5-9-13(14)18(26)25-24-17-15(19)16(20-11-21-17)23-22-12-7-3-2-4-8-12/h2-11,22H,19H2,1H3,(H,25,26)(H2,20,21,23,24)
InChIKeyTYUFJMCWNDQZKE-UHFFFAOYSA-N
MW365.40 g/mol
LogP2.26
Rot. Bonds7

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

N'-[5-amino-6-(2-phenylhydrazinyl)pyrimidin-4-yl]-2-methoxybenzohydrazide (PubChem CID 19144360) has the molecular formula C18H19N7O2 and a molecular weight of 365.40 g/mol. Its IUPAC name is N'-[5-amino-6-(2-phenylhydrazinyl)pyrimidin-4-yl]-2-methoxybenzohydrazide.

Molecular Properties

Compound NameN'-[5-amino-6-(2-phenylhydrazinyl)pyrimidin-4-yl]-2-methoxybenzohydrazide
PubChem CID19144360
Molecular FormulaC18H19N7O2
Molecular Weight365.40 g/mol
Exact Mass365.16
IUPAC NameN'-[5-amino-6-(2-phenylhydrazinyl)pyrimidin-4-yl]-2-methoxybenzohydrazide
SMILESCOc1ccccc1C(=O)NNc1ncnc(NNc2ccccc2)c1N
InChIInChI=1S/C18H19N7O2/c1-27-14-10-6-5-9-13(14)18(26)25-24-17-15(19)16(20-11-21-17)23-22-12-7-3-2-4-8-12/h2-11,22H,19H2,1H3,(H,25,26)(H2,20,21,23,24)
InChIKeyTYUFJMCWNDQZKE-UHFFFAOYSA-N
XLogP2.26
TPSA126.22 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.40
LogP ≤ 52.26
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N'-(5-amino-6-chloropyrimidin-4-yl)-2-methoxybenzohydrazide
CID 23477575
N'-[5-amino-6-(1-phenylethylamino)pyrimidin-4-yl]-2-methoxybenzohydrazide
CID 19145725
N'-(5-amino-6-ethoxypyrimidin-4-yl)-2-methoxybenzohydrazide
CID 19151456
N'-[5-amino-6-(3-methylbutylamino)pyrimidin-4-yl]-2-methoxybenzohydrazide
CID 19151468
N'-[5-amino-6-[(2-chloro-3-pyridinyl)amino]pyrimidin-4-yl]-2-methoxybenzohydrazide
CID 19151506
N'-[5-amino-6-(3,4-dimethylphenoxy)pyrimidin-4-yl]-2-methoxybenzohydrazide
CID 19151504
N'-(5-amino-6-morpholin-4-ylpyrimidin-4-yl)-2-methoxybenzohydrazide
CID 19137718
N'-[5-amino-6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyrimidin-4-yl]-2-methoxybenzohydrazide
CID 19146496
4-N-(2-methoxyphenyl)-6-(2-phenylhydrazinyl)pyrimidine-4,5-diamine
CID 19144325
N'-(6-hydrazinyl-5-nitropyrimidin-4-yl)-2-methoxybenzohydrazide
CID 22534718
2-methoxy-N'-[5-nitro-6-[2-(2-phenylacetyl)hydrazinyl]pyrimidin-4-yl]benzohydrazide
CID 22536099
N'-[5-amino-6-(3-imidazol-1-ylpropylamino)pyrimidin-4-yl]-2-methoxybenzohydrazide
CID 19151497

Frequently Asked Questions

What is the IUPAC name of N'-[5-amino-6-(2-phenylhydrazinyl)pyrimidin-4-yl]-2-methoxybenzohydrazide?
The IUPAC name of N'-[5-amino-6-(2-phenylhydrazinyl)pyrimidin-4-yl]-2-methoxybenzohydrazide (CID 19144360) is N'-[5-amino-6-(2-phenylhydrazinyl)pyrimidin-4-yl]-2-methoxybenzohydrazide.
What is the SMILES notation for N'-[5-amino-6-(2-phenylhydrazinyl)pyrimidin-4-yl]-2-methoxybenzohydrazide?
The canonical SMILES for N'-[5-amino-6-(2-phenylhydrazinyl)pyrimidin-4-yl]-2-methoxybenzohydrazide is COc1ccccc1C(=O)NNc1ncnc(NNc2ccccc2)c1N.
What is the InChIKey of N'-[5-amino-6-(2-phenylhydrazinyl)pyrimidin-4-yl]-2-methoxybenzohydrazide?
The InChIKey is TYUFJMCWNDQZKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N7O2/c1-27-14-10-6-5-9-13(14)18(26)25-24-17-15(19)16(20-11-21-17)23-22-12-7-3-2-4-8-12/h2-11,22H,19H2,1H3,(H,25,26)(H2,20,21,23,24).
What are the key properties of N'-[5-amino-6-(2-phenylhydrazinyl)pyrimidin-4-yl]-2-methoxybenzohydrazide?
N'-[5-amino-6-(2-phenylhydrazinyl)pyrimidin-4-yl]-2-methoxybenzohydrazide has a molecular weight of 365.40 g/mol, XLogP of 2.26, 7 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[5-amino-6-(2-phenylhydrazinyl)pyrimidin-4-yl]-2-methoxybenzohydrazide is sourced from PubChem (CID 19144360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).