N'-[6-(3-methoxypropylamino)-5-nitropyrimidin-4-yl]furan-2-carbohydrazide

C13H16N6O5 — CID 22526553

IUPACN'-[6-(3-methoxypropylamino)-5-nitropyrimidin-4-yl]furan-2-carbohydrazide
SMILESCOCCCNc1ncnc(NNC(=O)c2ccco2)c1[N+](=O)[O-]
InChIInChI=1S/C13H16N6O5/c1-23-6-3-5-14-11-10(19(21)22)12(16-8-15-11)17-18-13(20)9-4-2-7-24-9/h2,4,7-8H,3,5-6H2,1H3,(H,18,20)(H2,14,15,16,17)
InChIKeyMICCKHGMLWFNLF-UHFFFAOYSA-N
MW336.31 g/mol
LogP1.18
Rot. Bonds9

About N'-[6-(3-methoxypropylamino)-5-nitropyrimidin-4-yl]furan-2-carbohydrazide

N'-[6-(3-methoxypropylamino)-5-nitropyrimidin-4-yl]furan-2-carbohydrazide (PubChem CID 22526553) has the molecular formula C13H16N6O5 and a molecular weight of 336.31 g/mol. Its IUPAC name is N'-[6-(3-methoxypropylamino)-5-nitropyrimidin-4-yl]furan-2-carbohydrazide.

Molecular Properties

Compound NameN'-[6-(3-methoxypropylamino)-5-nitropyrimidin-4-yl]furan-2-carbohydrazide
PubChem CID22526553
Molecular FormulaC13H16N6O5
Molecular Weight336.31 g/mol
Exact Mass336.12
IUPAC NameN'-[6-(3-methoxypropylamino)-5-nitropyrimidin-4-yl]furan-2-carbohydrazide
SMILESCOCCCNc1ncnc(NNC(=O)c2ccco2)c1[N+](=O)[O-]
InChIInChI=1S/C13H16N6O5/c1-23-6-3-5-14-11-10(19(21)22)12(16-8-15-11)17-18-13(20)9-4-2-7-24-9/h2,4,7-8H,3,5-6H2,1H3,(H,18,20)(H2,14,15,16,17)
InChIKeyMICCKHGMLWFNLF-UHFFFAOYSA-N
XLogP1.18
TPSA144.45 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.31
LogP ≤ 51.18
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

N'-[5-amino-6-(3-methoxypropylamino)pyrimidin-4-yl]furan-2-carbohydrazide
CID 19144226
4-fluoro-N'-[6-(3-methoxypropylamino)-5-nitropyrimidin-4-yl]benzohydrazide
CID 22526537
4-methoxy-N'-[6-(3-methoxypropylamino)-5-nitropyrimidin-4-yl]benzohydrazide
CID 22526549
N'-[6-(3-methoxypropylamino)-5-nitropyrimidin-4-yl]-3-nitrobenzohydrazide
CID 22526543
N'-[6-(2-methoxyanilino)-5-nitropyrimidin-4-yl]furan-2-carbohydrazide
CID 22532304
dimethyl 5-[[6-[2-(furan-2-carbonyl)hydrazinyl]-5-nitropyrimidin-4-yl]amino]benzene-1,3-dicarboxylate
CID 23486384
N'-[6-[(2-chlorophenyl)methylamino]-5-nitropyrimidin-4-yl]furan-2-carbohydrazide
CID 22536805
N'-[6-(3,5-dimethylanilino)-5-nitropyrimidin-4-yl]furan-2-carbohydrazide
CID 23479503
N'-[6-(4-methoxyphenoxy)-5-nitropyrimidin-4-yl]furan-2-carbohydrazide
CID 22536818
N'-[6-[2-(4-bromobenzoyl)hydrazinyl]-5-nitropyrimidin-4-yl]furan-2-carbohydrazide
CID 22535448
N'-[5-nitro-6-[2-(4-nitrophenyl)hydrazinyl]pyrimidin-4-yl]furan-2-carbohydrazide
CID 22526845
N'-[6-(cyclopentylamino)-5-nitropyrimidin-4-yl]furan-2-carbohydrazide
CID 22536797

Frequently Asked Questions

What is the IUPAC name of N'-[6-(3-methoxypropylamino)-5-nitropyrimidin-4-yl]furan-2-carbohydrazide?
The IUPAC name of N'-[6-(3-methoxypropylamino)-5-nitropyrimidin-4-yl]furan-2-carbohydrazide (CID 22526553) is N'-[6-(3-methoxypropylamino)-5-nitropyrimidin-4-yl]furan-2-carbohydrazide.
What is the SMILES notation for N'-[6-(3-methoxypropylamino)-5-nitropyrimidin-4-yl]furan-2-carbohydrazide?
The canonical SMILES for N'-[6-(3-methoxypropylamino)-5-nitropyrimidin-4-yl]furan-2-carbohydrazide is COCCCNc1ncnc(NNC(=O)c2ccco2)c1[N+](=O)[O-].
What is the InChIKey of N'-[6-(3-methoxypropylamino)-5-nitropyrimidin-4-yl]furan-2-carbohydrazide?
The InChIKey is MICCKHGMLWFNLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N6O5/c1-23-6-3-5-14-11-10(19(21)22)12(16-8-15-11)17-18-13(20)9-4-2-7-24-9/h2,4,7-8H,3,5-6H2,1H3,(H,18,20)(H2,14,15,16,17).
What are the key properties of N'-[6-(3-methoxypropylamino)-5-nitropyrimidin-4-yl]furan-2-carbohydrazide?
N'-[6-(3-methoxypropylamino)-5-nitropyrimidin-4-yl]furan-2-carbohydrazide has a molecular weight of 336.31 g/mol, XLogP of 1.18, 9 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[6-(3-methoxypropylamino)-5-nitropyrimidin-4-yl]furan-2-carbohydrazide is sourced from PubChem (CID 22526553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).