N'-(6-morpholin-4-yl-5-nitropyrimidin-4-yl)furan-2-carbohydrazide

C13H14N6O5 — CID 23489620

IUPACN'-(6-morpholin-4-yl-5-nitropyrimidin-4-yl)furan-2-carbohydrazide
SMILESO=C(NNc1ncnc(N2CCOCC2)c1[N+](=O)[O-])c1ccco1
InChIInChI=1S/C13H14N6O5/c20-13(9-2-1-5-24-9)17-16-11-10(19(21)22)12(15-8-14-11)18-3-6-23-7-4-18/h1-2,5,8H,3-4,6-7H2,(H,17,20)(H,14,15,16)
InChIKeyPINOIZGWENNFIG-UHFFFAOYSA-N
MW334.29 g/mol
LogP0.57
Rot. Bonds5

About N'-(6-morpholin-4-yl-5-nitropyrimidin-4-yl)furan-2-carbohydrazide

N'-(6-morpholin-4-yl-5-nitropyrimidin-4-yl)furan-2-carbohydrazide (PubChem CID 23489620) has the molecular formula C13H14N6O5 and a molecular weight of 334.29 g/mol. Its IUPAC name is N'-(6-morpholin-4-yl-5-nitropyrimidin-4-yl)furan-2-carbohydrazide.

Molecular Properties

Compound NameN'-(6-morpholin-4-yl-5-nitropyrimidin-4-yl)furan-2-carbohydrazide
PubChem CID23489620
Molecular FormulaC13H14N6O5
Molecular Weight334.29 g/mol
Exact Mass334.10
IUPAC NameN'-(6-morpholin-4-yl-5-nitropyrimidin-4-yl)furan-2-carbohydrazide
SMILESO=C(NNc1ncnc(N2CCOCC2)c1[N+](=O)[O-])c1ccco1
InChIInChI=1S/C13H14N6O5/c20-13(9-2-1-5-24-9)17-16-11-10(19(21)22)12(15-8-14-11)18-3-6-23-7-4-18/h1-2,5,8H,3-4,6-7H2,(H,17,20)(H,14,15,16)
InChIKeyPINOIZGWENNFIG-UHFFFAOYSA-N
XLogP0.57
TPSA135.66 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.29
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

N'-[6-[4-(4-fluorophenyl)piperazin-1-yl]-5-nitropyrimidin-4-yl]furan-2-carbohydrazide
CID 22536790
N'-[6-(4-ethylpiperazin-1-yl)-5-nitropyrimidin-4-yl]furan-2-carbohydrazide
CID 23490359
N'-(6-morpholin-4-yl-5-nitropyrimidin-4-yl)benzohydrazide
CID 23489598
N'-(6-morpholin-4-yl-5-nitropyrimidin-4-yl)pyridine-4-carbohydrazide
CID 23489617
N'-[6-(2,3-dihydroindol-1-yl)-5-nitropyrimidin-4-yl]furan-2-carbohydrazide
CID 23481821
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
4-[[6-[2-(furan-2-carbonyl)hydrazinyl]-5-nitropyrimidin-4-yl]amino]benzoic acid
CID 22536812
N'-[6-[2-(4-bromobenzoyl)hydrazinyl]-5-nitropyrimidin-4-yl]furan-2-carbohydrazide
CID 22535448
N'-[6-(3,5-dimethylanilino)-5-nitropyrimidin-4-yl]furan-2-carbohydrazide
CID 23479503
N'-[5-nitro-6-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)pyrimidin-4-yl]furan-2-carbohydrazide
CID 23492854
N'-(5-nitro-6-phenylsulfanylpyrimidin-4-yl)furan-2-carbohydrazide
CID 22534044

Frequently Asked Questions

What is the IUPAC name of N'-(6-morpholin-4-yl-5-nitropyrimidin-4-yl)furan-2-carbohydrazide?
The IUPAC name of N'-(6-morpholin-4-yl-5-nitropyrimidin-4-yl)furan-2-carbohydrazide (CID 23489620) is N'-(6-morpholin-4-yl-5-nitropyrimidin-4-yl)furan-2-carbohydrazide.
What is the SMILES notation for N'-(6-morpholin-4-yl-5-nitropyrimidin-4-yl)furan-2-carbohydrazide?
The canonical SMILES for N'-(6-morpholin-4-yl-5-nitropyrimidin-4-yl)furan-2-carbohydrazide is O=C(NNc1ncnc(N2CCOCC2)c1[N+](=O)[O-])c1ccco1.
What is the InChIKey of N'-(6-morpholin-4-yl-5-nitropyrimidin-4-yl)furan-2-carbohydrazide?
The InChIKey is PINOIZGWENNFIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N6O5/c20-13(9-2-1-5-24-9)17-16-11-10(19(21)22)12(15-8-14-11)18-3-6-23-7-4-18/h1-2,5,8H,3-4,6-7H2,(H,17,20)(H,14,15,16).
What are the key properties of N'-(6-morpholin-4-yl-5-nitropyrimidin-4-yl)furan-2-carbohydrazide?
N'-(6-morpholin-4-yl-5-nitropyrimidin-4-yl)furan-2-carbohydrazide has a molecular weight of 334.29 g/mol, XLogP of 0.57, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(6-morpholin-4-yl-5-nitropyrimidin-4-yl)furan-2-carbohydrazide is sourced from PubChem (CID 23489620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).