N'-(5-amino-6-chloropyrimidin-4-yl)-2-methoxybenzohydrazide

C12H12ClN5O2 — CID 23477575

IUPACN'-(5-amino-6-chloropyrimidin-4-yl)-2-methoxybenzohydrazide
SMILESCOc1ccccc1C(=O)NNc1ncnc(Cl)c1N
InChIInChI=1S/C12H12ClN5O2/c1-20-8-5-3-2-4-7(8)12(19)18-17-11-9(14)10(13)15-6-16-11/h2-6H,14H2,1H3,(H,18,19)(H,15,16,17)
InChIKeyJBHVJYGHUKXMKV-UHFFFAOYSA-N
MW293.71 g/mol
LogP1.48
Rot. Bonds4

About N'-(5-amino-6-chloropyrimidin-4-yl)-2-methoxybenzohydrazide

N'-(5-amino-6-chloropyrimidin-4-yl)-2-methoxybenzohydrazide (PubChem CID 23477575) has the molecular formula C12H12ClN5O2 and a molecular weight of 293.71 g/mol. Its IUPAC name is N'-(5-amino-6-chloropyrimidin-4-yl)-2-methoxybenzohydrazide.

Molecular Properties

Compound NameN'-(5-amino-6-chloropyrimidin-4-yl)-2-methoxybenzohydrazide
PubChem CID23477575
Molecular FormulaC12H12ClN5O2
Molecular Weight293.71 g/mol
Exact Mass293.07
IUPAC NameN'-(5-amino-6-chloropyrimidin-4-yl)-2-methoxybenzohydrazide
SMILESCOc1ccccc1C(=O)NNc1ncnc(Cl)c1N
InChIInChI=1S/C12H12ClN5O2/c1-20-8-5-3-2-4-7(8)12(19)18-17-11-9(14)10(13)15-6-16-11/h2-6H,14H2,1H3,(H,18,19)(H,15,16,17)
InChIKeyJBHVJYGHUKXMKV-UHFFFAOYSA-N
XLogP1.48
TPSA102.16 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.71
LogP ≤ 51.48
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-(2-phenylhydrazinyl)pyrimidin-4-yl]-2-methoxybenzohydrazide
CID 19144360
N'-[5-amino-6-[(2-chloro-3-pyridinyl)amino]pyrimidin-4-yl]-2-methoxybenzohydrazide
CID 19151506
N'-(5-amino-6-ethoxypyrimidin-4-yl)-2-methoxybenzohydrazide
CID 19151456
N'-[5-amino-6-(1-phenylethylamino)pyrimidin-4-yl]-2-methoxybenzohydrazide
CID 19145725
N'-[5-amino-6-(3-methylbutylamino)pyrimidin-4-yl]-2-methoxybenzohydrazide
CID 19151468
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
N'-(6-hydrazinyl-5-nitropyrimidin-4-yl)-2-methoxybenzohydrazide
CID 22534718
N'-[5-amino-6-(4-methoxyanilino)pyrimidin-4-yl]-2-chlorobenzohydrazide
CID 19149115
N'-[5-amino-6-(3-imidazol-1-ylpropylamino)pyrimidin-4-yl]-2-methoxybenzohydrazide
CID 19151497
N'-(5-amino-6-chloropyrimidin-4-yl)-4-fluorobenzohydrazide
CID 23477568

Frequently Asked Questions

What is the IUPAC name of N'-(5-amino-6-chloropyrimidin-4-yl)-2-methoxybenzohydrazide?
The IUPAC name of N'-(5-amino-6-chloropyrimidin-4-yl)-2-methoxybenzohydrazide (CID 23477575) is N'-(5-amino-6-chloropyrimidin-4-yl)-2-methoxybenzohydrazide.
What is the SMILES notation for N'-(5-amino-6-chloropyrimidin-4-yl)-2-methoxybenzohydrazide?
The canonical SMILES for N'-(5-amino-6-chloropyrimidin-4-yl)-2-methoxybenzohydrazide is COc1ccccc1C(=O)NNc1ncnc(Cl)c1N.
What is the InChIKey of N'-(5-amino-6-chloropyrimidin-4-yl)-2-methoxybenzohydrazide?
The InChIKey is JBHVJYGHUKXMKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN5O2/c1-20-8-5-3-2-4-7(8)12(19)18-17-11-9(14)10(13)15-6-16-11/h2-6H,14H2,1H3,(H,18,19)(H,15,16,17).
What are the key properties of N'-(5-amino-6-chloropyrimidin-4-yl)-2-methoxybenzohydrazide?
N'-(5-amino-6-chloropyrimidin-4-yl)-2-methoxybenzohydrazide has a molecular weight of 293.71 g/mol, XLogP of 1.48, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-amino-6-chloropyrimidin-4-yl)-2-methoxybenzohydrazide is sourced from PubChem (CID 23477575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).