4-methoxy-N'-[6-(3-methoxypropylamino)-5-nitropyrimidin-4-yl]benzohydrazide

C16H20N6O5 — CID 22526549

IUPAC4-methoxy-N'-[6-(3-methoxypropylamino)-5-nitropyrimidin-4-yl]benzohydrazide
SMILESCOCCCNc1ncnc(NNC(=O)c2ccc(OC)cc2)c1[N+](=O)[O-]
InChIInChI=1S/C16H20N6O5/c1-26-9-3-8-17-14-13(22(24)25)15(19-10-18-14)20-21-16(23)11-4-6-12(27-2)7-5-11/h4-7,10H,3,8-9H2,1-2H3,(H,21,23)(H2,17,18,19,20)
InChIKeyXMOVLCZODHBQNY-UHFFFAOYSA-N
MW376.37 g/mol
LogP1.60
Rot. Bonds10

About 4-methoxy-N'-[6-(3-methoxypropylamino)-5-nitropyrimidin-4-yl]benzohydrazide

4-methoxy-N'-[6-(3-methoxypropylamino)-5-nitropyrimidin-4-yl]benzohydrazide (PubChem CID 22526549) has the molecular formula C16H20N6O5 and a molecular weight of 376.37 g/mol. Its IUPAC name is 4-methoxy-N'-[6-(3-methoxypropylamino)-5-nitropyrimidin-4-yl]benzohydrazide.

Molecular Properties

Compound Name4-methoxy-N'-[6-(3-methoxypropylamino)-5-nitropyrimidin-4-yl]benzohydrazide
PubChem CID22526549
Molecular FormulaC16H20N6O5
Molecular Weight376.37 g/mol
Exact Mass376.15
IUPAC Name4-methoxy-N'-[6-(3-methoxypropylamino)-5-nitropyrimidin-4-yl]benzohydrazide
SMILESCOCCCNc1ncnc(NNC(=O)c2ccc(OC)cc2)c1[N+](=O)[O-]
InChIInChI=1S/C16H20N6O5/c1-26-9-3-8-17-14-13(22(24)25)15(19-10-18-14)20-21-16(23)11-4-6-12(27-2)7-5-11/h4-7,10H,3,8-9H2,1-2H3,(H,21,23)(H2,17,18,19,20)
InChIKeyXMOVLCZODHBQNY-UHFFFAOYSA-N
XLogP1.60
TPSA140.54 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.37
LogP ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

4-fluoro-N'-[6-(3-methoxypropylamino)-5-nitropyrimidin-4-yl]benzohydrazide
CID 22526537
N'-[6-(3-methoxypropylamino)-5-nitropyrimidin-4-yl]-3-nitrobenzohydrazide
CID 22526543
N'-[6-[2-(4-chlorobenzoyl)hydrazinyl]-5-nitropyrimidin-4-yl]-4-methoxybenzohydrazide
CID 22535357
4-N-[(4-methoxyphenyl)methyl]-6-N-(3-methoxypropyl)-5-nitropyrimidine-4,6-diamine
CID 23494602
4-chloro-N'-[6-[(4-methoxyphenyl)methylamino]-5-nitropyrimidin-4-yl]benzohydrazide
CID 23494665
N'-[6-(butylamino)-5-nitropyrimidin-4-yl]-4-nitrobenzohydrazide
CID 23486781
N'-[6-(3-methoxypropylamino)-5-nitropyrimidin-4-yl]furan-2-carbohydrazide
CID 22526553
4-N-(2,4-dimethoxyphenyl)-6-N-(3-methoxypropyl)-5-nitropyrimidine-4,6-diamine
CID 23494920
N'-[6-[2-(4-methoxybenzoyl)hydrazinyl]-5-nitropyrimidin-4-yl]-3-nitrobenzohydrazide
CID 22536013
4-chloro-N'-[6-[2-(4-methoxybenzoyl)hydrazinyl]-5-nitropyrimidin-4-yl]-3-nitrobenzohydrazide
CID 22536245
2-bromo-N'-[6-[2-(4-methoxybenzoyl)hydrazinyl]-5-nitropyrimidin-4-yl]benzohydrazide
CID 22535935
ethyl 4-[[6-[2-(4-methoxybenzoyl)hydrazinyl]-5-nitropyrimidin-4-yl]amino]benzoate
CID 22528950

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N'-[6-(3-methoxypropylamino)-5-nitropyrimidin-4-yl]benzohydrazide?
The IUPAC name of 4-methoxy-N'-[6-(3-methoxypropylamino)-5-nitropyrimidin-4-yl]benzohydrazide (CID 22526549) is 4-methoxy-N'-[6-(3-methoxypropylamino)-5-nitropyrimidin-4-yl]benzohydrazide.
What is the SMILES notation for 4-methoxy-N'-[6-(3-methoxypropylamino)-5-nitropyrimidin-4-yl]benzohydrazide?
The canonical SMILES for 4-methoxy-N'-[6-(3-methoxypropylamino)-5-nitropyrimidin-4-yl]benzohydrazide is COCCCNc1ncnc(NNC(=O)c2ccc(OC)cc2)c1[N+](=O)[O-].
What is the InChIKey of 4-methoxy-N'-[6-(3-methoxypropylamino)-5-nitropyrimidin-4-yl]benzohydrazide?
The InChIKey is XMOVLCZODHBQNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6O5/c1-26-9-3-8-17-14-13(22(24)25)15(19-10-18-14)20-21-16(23)11-4-6-12(27-2)7-5-11/h4-7,10H,3,8-9H2,1-2H3,(H,21,23)(H2,17,18,19,20).
What are the key properties of 4-methoxy-N'-[6-(3-methoxypropylamino)-5-nitropyrimidin-4-yl]benzohydrazide?
4-methoxy-N'-[6-(3-methoxypropylamino)-5-nitropyrimidin-4-yl]benzohydrazide has a molecular weight of 376.37 g/mol, XLogP of 1.60, 10 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N'-[6-(3-methoxypropylamino)-5-nitropyrimidin-4-yl]benzohydrazide is sourced from PubChem (CID 22526549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).