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

C14H16N6O4 — CID 22536797

IUPACN'-[6-(cyclopentylamino)-5-nitropyrimidin-4-yl]furan-2-carbohydrazide
SMILESO=C(NNc1ncnc(NC2CCCC2)c1[N+](=O)[O-])c1ccco1
InChIInChI=1S/C14H16N6O4/c21-14(10-6-3-7-24-10)19-18-13-11(20(22)23)12(15-8-16-13)17-9-4-1-2-5-9/h3,6-9H,1-2,4-5H2,(H,19,21)(H2,15,16,17,18)
InChIKeyDBSKBKNDKREDHL-UHFFFAOYSA-N
MW332.32 g/mol
LogP2.09
Rot. Bonds6

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

N'-[6-(cyclopentylamino)-5-nitropyrimidin-4-yl]furan-2-carbohydrazide (PubChem CID 22536797) has the molecular formula C14H16N6O4 and a molecular weight of 332.32 g/mol. Its IUPAC name is N'-[6-(cyclopentylamino)-5-nitropyrimidin-4-yl]furan-2-carbohydrazide.

Molecular Properties

Compound NameN'-[6-(cyclopentylamino)-5-nitropyrimidin-4-yl]furan-2-carbohydrazide
PubChem CID22536797
Molecular FormulaC14H16N6O4
Molecular Weight332.32 g/mol
Exact Mass332.12
IUPAC NameN'-[6-(cyclopentylamino)-5-nitropyrimidin-4-yl]furan-2-carbohydrazide
SMILESO=C(NNc1ncnc(NC2CCCC2)c1[N+](=O)[O-])c1ccco1
InChIInChI=1S/C14H16N6O4/c21-14(10-6-3-7-24-10)19-18-13-11(20(22)23)12(15-8-16-13)17-9-4-1-2-5-9/h3,6-9H,1-2,4-5H2,(H,19,21)(H2,15,16,17,18)
InChIKeyDBSKBKNDKREDHL-UHFFFAOYSA-N
XLogP2.09
TPSA135.22 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.32
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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-(cyclohexylamino)-5-nitropyrimidin-4-yl]-2-phenylacetohydrazide
CID 23487797
N'-[6-(cycloheptylamino)-5-nitropyrimidin-4-yl]-2-phenylacetohydrazide
CID 22537071
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-(3,5-dimethylanilino)-5-nitropyrimidin-4-yl]furan-2-carbohydrazide
CID 23479503
N'-[6-(cyclohexylamino)-5-nitropyrimidin-4-yl]-4-nitrobenzohydrazide
CID 23487779
4-[[6-[2-(furan-2-carbonyl)hydrazinyl]-5-nitropyrimidin-4-yl]amino]benzoic acid
CID 22536812
N'-[6-(cyclopentylamino)-5-nitropyrimidin-4-yl]-3-nitrobenzohydrazide
CID 22536055
N'-(5-nitro-6-phenylsulfanylpyrimidin-4-yl)furan-2-carbohydrazide
CID 22534044
N'-[6-(2-methoxyanilino)-5-nitropyrimidin-4-yl]furan-2-carbohydrazide
CID 22532304
N'-[6-(3,4-dichloroanilino)-5-nitropyrimidin-4-yl]furan-2-carbohydrazide
CID 23485550
N'-[6-[(2-chlorophenyl)methylamino]-5-nitropyrimidin-4-yl]furan-2-carbohydrazide
CID 22536805

Frequently Asked Questions

What is the IUPAC name of N'-[6-(cyclopentylamino)-5-nitropyrimidin-4-yl]furan-2-carbohydrazide?
The IUPAC name of N'-[6-(cyclopentylamino)-5-nitropyrimidin-4-yl]furan-2-carbohydrazide (CID 22536797) is N'-[6-(cyclopentylamino)-5-nitropyrimidin-4-yl]furan-2-carbohydrazide.
What is the SMILES notation for N'-[6-(cyclopentylamino)-5-nitropyrimidin-4-yl]furan-2-carbohydrazide?
The canonical SMILES for N'-[6-(cyclopentylamino)-5-nitropyrimidin-4-yl]furan-2-carbohydrazide is O=C(NNc1ncnc(NC2CCCC2)c1[N+](=O)[O-])c1ccco1.
What is the InChIKey of N'-[6-(cyclopentylamino)-5-nitropyrimidin-4-yl]furan-2-carbohydrazide?
The InChIKey is DBSKBKNDKREDHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6O4/c21-14(10-6-3-7-24-10)19-18-13-11(20(22)23)12(15-8-16-13)17-9-4-1-2-5-9/h3,6-9H,1-2,4-5H2,(H,19,21)(H2,15,16,17,18).
What are the key properties of N'-[6-(cyclopentylamino)-5-nitropyrimidin-4-yl]furan-2-carbohydrazide?
N'-[6-(cyclopentylamino)-5-nitropyrimidin-4-yl]furan-2-carbohydrazide has a molecular weight of 332.32 g/mol, XLogP of 2.09, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[6-(cyclopentylamino)-5-nitropyrimidin-4-yl]furan-2-carbohydrazide is sourced from PubChem (CID 22536797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).