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

C14H17N5O3 — CID 19151456

IUPACN'-(5-amino-6-ethoxypyrimidin-4-yl)-2-methoxybenzohydrazide
SMILESCCOc1ncnc(NNC(=O)c2ccccc2OC)c1N
InChIInChI=1S/C14H17N5O3/c1-3-22-14-11(15)12(16-8-17-14)18-19-13(20)9-6-4-5-7-10(9)21-2/h4-8H,3,15H2,1-2H3,(H,19,20)(H,16,17,18)
InChIKeyJWYAOIBXXAKDJK-UHFFFAOYSA-N
MW303.32 g/mol
LogP1.22
Rot. Bonds6

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

N'-(5-amino-6-ethoxypyrimidin-4-yl)-2-methoxybenzohydrazide (PubChem CID 19151456) has the molecular formula C14H17N5O3 and a molecular weight of 303.32 g/mol. Its IUPAC name is N'-(5-amino-6-ethoxypyrimidin-4-yl)-2-methoxybenzohydrazide.

Molecular Properties

Compound NameN'-(5-amino-6-ethoxypyrimidin-4-yl)-2-methoxybenzohydrazide
PubChem CID19151456
Molecular FormulaC14H17N5O3
Molecular Weight303.32 g/mol
Exact Mass303.13
IUPAC NameN'-(5-amino-6-ethoxypyrimidin-4-yl)-2-methoxybenzohydrazide
SMILESCCOc1ncnc(NNC(=O)c2ccccc2OC)c1N
InChIInChI=1S/C14H17N5O3/c1-3-22-14-11(15)12(16-8-17-14)18-19-13(20)9-6-4-5-7-10(9)21-2/h4-8H,3,15H2,1-2H3,(H,19,20)(H,16,17,18)
InChIKeyJWYAOIBXXAKDJK-UHFFFAOYSA-N
XLogP1.22
TPSA111.39 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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-(2-phenylhydrazinyl)pyrimidin-4-yl]-2-methoxybenzohydrazide
CID 19144360
N'-[5-amino-6-(3,4-dimethylphenoxy)pyrimidin-4-yl]-2-methoxybenzohydrazide
CID 19151504
N'-[5-amino-6-(3-methylbutylamino)pyrimidin-4-yl]-2-methoxybenzohydrazide
CID 19151468
N'-[5-amino-6-(1-phenylethylamino)pyrimidin-4-yl]-2-methoxybenzohydrazide
CID 19145725
N'-[5-amino-6-[(2-chloro-3-pyridinyl)amino]pyrimidin-4-yl]-2-methoxybenzohydrazide
CID 19151506
N'-[5-amino-6-(2-ethoxyanilino)pyrimidin-4-yl]-2-chlorobenzohydrazide
CID 19151344
N'-(5-amino-6-morpholin-4-ylpyrimidin-4-yl)-2-methoxybenzohydrazide
CID 19137718
N'-(5-amino-6-ethoxypyrimidin-4-yl)-2,2-diphenylacetohydrazide
CID 19152171
N'-[5-amino-6-(2-methoxyphenoxy)pyrimidin-4-yl]pyridine-4-carbohydrazide
CID 19151878
N'-[5-amino-6-(3-imidazol-1-ylpropylamino)pyrimidin-4-yl]-2-methoxybenzohydrazide
CID 19151497
N'-[5-amino-6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyrimidin-4-yl]-2-methoxybenzohydrazide
CID 19146496

Frequently Asked Questions

What is the IUPAC name of N'-(5-amino-6-ethoxypyrimidin-4-yl)-2-methoxybenzohydrazide?
The IUPAC name of N'-(5-amino-6-ethoxypyrimidin-4-yl)-2-methoxybenzohydrazide (CID 19151456) is N'-(5-amino-6-ethoxypyrimidin-4-yl)-2-methoxybenzohydrazide.
What is the SMILES notation for N'-(5-amino-6-ethoxypyrimidin-4-yl)-2-methoxybenzohydrazide?
The canonical SMILES for N'-(5-amino-6-ethoxypyrimidin-4-yl)-2-methoxybenzohydrazide is CCOc1ncnc(NNC(=O)c2ccccc2OC)c1N.
What is the InChIKey of N'-(5-amino-6-ethoxypyrimidin-4-yl)-2-methoxybenzohydrazide?
The InChIKey is JWYAOIBXXAKDJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O3/c1-3-22-14-11(15)12(16-8-17-14)18-19-13(20)9-6-4-5-7-10(9)21-2/h4-8H,3,15H2,1-2H3,(H,19,20)(H,16,17,18).
What are the key properties of N'-(5-amino-6-ethoxypyrimidin-4-yl)-2-methoxybenzohydrazide?
N'-(5-amino-6-ethoxypyrimidin-4-yl)-2-methoxybenzohydrazide has a molecular weight of 303.32 g/mol, XLogP of 1.22, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-amino-6-ethoxypyrimidin-4-yl)-2-methoxybenzohydrazide is sourced from PubChem (CID 19151456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).