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

C16H20N6O3 — CID 19137718

IUPACN'-(5-amino-6-morpholin-4-ylpyrimidin-4-yl)-2-methoxybenzohydrazide
SMILESCOc1ccccc1C(=O)NNc1ncnc(N2CCOCC2)c1N
InChIInChI=1S/C16H20N6O3/c1-24-12-5-3-2-4-11(12)16(23)21-20-14-13(17)15(19-10-18-14)22-6-8-25-9-7-22/h2-5,10H,6-9,17H2,1H3,(H,21,23)(H,18,19,20)
InChIKeyXVEZLCGYAMIILM-UHFFFAOYSA-N
MW344.38 g/mol
LogP0.66
Rot. Bonds5

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

N'-(5-amino-6-morpholin-4-ylpyrimidin-4-yl)-2-methoxybenzohydrazide (PubChem CID 19137718) has the molecular formula C16H20N6O3 and a molecular weight of 344.38 g/mol. Its IUPAC name is N'-(5-amino-6-morpholin-4-ylpyrimidin-4-yl)-2-methoxybenzohydrazide.

Molecular Properties

Compound NameN'-(5-amino-6-morpholin-4-ylpyrimidin-4-yl)-2-methoxybenzohydrazide
PubChem CID19137718
Molecular FormulaC16H20N6O3
Molecular Weight344.38 g/mol
Exact Mass344.16
IUPAC NameN'-(5-amino-6-morpholin-4-ylpyrimidin-4-yl)-2-methoxybenzohydrazide
SMILESCOc1ccccc1C(=O)NNc1ncnc(N2CCOCC2)c1N
InChIInChI=1S/C16H20N6O3/c1-24-12-5-3-2-4-11(12)16(23)21-20-14-13(17)15(19-10-18-14)22-6-8-25-9-7-22/h2-5,10H,6-9,17H2,1H3,(H,21,23)(H,18,19,20)
InChIKeyXVEZLCGYAMIILM-UHFFFAOYSA-N
XLogP0.66
TPSA114.63 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.38
LogP ≤ 50.66
H-Bond Donors ≤ 53
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-N-(2-methoxyphenyl)-6-morpholin-4-ylpyrimidine-4,5-diamine
CID 19137683
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-piperidin-1-ylpyrimidin-4-yl)-2-chlorobenzohydrazide
CID 19137533
N'-(5-amino-6-ethoxypyrimidin-4-yl)-2-methoxybenzohydrazide
CID 19151456
N'-[5-amino-6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]-2-bromobenzohydrazide
CID 19138617
N'-[5-amino-6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyrimidin-4-yl]-2-methoxybenzohydrazide
CID 19146496
N'-[5-amino-6-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)pyrimidin-4-yl]-2-methoxybenzohydrazide
CID 19140841
ethyl 4-[5-amino-6-[2-(2-methylbenzoyl)hydrazinyl]pyrimidin-4-yl]piperazine-1-carboxylate
CID 19150942
N'-[6-[4-(4-fluorophenyl)piperazin-1-yl]-5-nitropyrimidin-4-yl]-2-methoxybenzohydrazide
CID 22536127
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

Frequently Asked Questions

What is the IUPAC name of N'-(5-amino-6-morpholin-4-ylpyrimidin-4-yl)-2-methoxybenzohydrazide?
The IUPAC name of N'-(5-amino-6-morpholin-4-ylpyrimidin-4-yl)-2-methoxybenzohydrazide (CID 19137718) is N'-(5-amino-6-morpholin-4-ylpyrimidin-4-yl)-2-methoxybenzohydrazide.
What is the SMILES notation for N'-(5-amino-6-morpholin-4-ylpyrimidin-4-yl)-2-methoxybenzohydrazide?
The canonical SMILES for N'-(5-amino-6-morpholin-4-ylpyrimidin-4-yl)-2-methoxybenzohydrazide is COc1ccccc1C(=O)NNc1ncnc(N2CCOCC2)c1N.
What is the InChIKey of N'-(5-amino-6-morpholin-4-ylpyrimidin-4-yl)-2-methoxybenzohydrazide?
The InChIKey is XVEZLCGYAMIILM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6O3/c1-24-12-5-3-2-4-11(12)16(23)21-20-14-13(17)15(19-10-18-14)22-6-8-25-9-7-22/h2-5,10H,6-9,17H2,1H3,(H,21,23)(H,18,19,20).
What are the key properties of N'-(5-amino-6-morpholin-4-ylpyrimidin-4-yl)-2-methoxybenzohydrazide?
N'-(5-amino-6-morpholin-4-ylpyrimidin-4-yl)-2-methoxybenzohydrazide has a molecular weight of 344.38 g/mol, XLogP of 0.66, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-amino-6-morpholin-4-ylpyrimidin-4-yl)-2-methoxybenzohydrazide is sourced from PubChem (CID 19137718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).