N'-[6-[butyl(methyl)amino]-5-nitropyrimidin-4-yl]furan-2-carbohydrazide

C14H18N6O4 — CID 23491801

IUPACN'-[6-[butyl(methyl)amino]-5-nitropyrimidin-4-yl]furan-2-carbohydrazide
SMILESCCCCN(C)c1ncnc(NNC(=O)c2ccco2)c1[N+](=O)[O-]
InChIInChI=1S/C14H18N6O4/c1-3-4-7-19(2)13-11(20(22)23)12(15-9-16-13)17-18-14(21)10-6-5-8-24-10/h5-6,8-9H,3-4,7H2,1-2H3,(H,18,21)(H,15,16,17)
InChIKeyWUJDLMYDXDTUKU-UHFFFAOYSA-N
MW334.34 g/mol
LogP1.97
Rot. Bonds8

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

N'-[6-[butyl(methyl)amino]-5-nitropyrimidin-4-yl]furan-2-carbohydrazide (PubChem CID 23491801) has the molecular formula C14H18N6O4 and a molecular weight of 334.34 g/mol. Its IUPAC name is N'-[6-[butyl(methyl)amino]-5-nitropyrimidin-4-yl]furan-2-carbohydrazide.

Molecular Properties

Compound NameN'-[6-[butyl(methyl)amino]-5-nitropyrimidin-4-yl]furan-2-carbohydrazide
PubChem CID23491801
Molecular FormulaC14H18N6O4
Molecular Weight334.34 g/mol
Exact Mass334.14
IUPAC NameN'-[6-[butyl(methyl)amino]-5-nitropyrimidin-4-yl]furan-2-carbohydrazide
SMILESCCCCN(C)c1ncnc(NNC(=O)c2ccco2)c1[N+](=O)[O-]
InChIInChI=1S/C14H18N6O4/c1-3-4-7-19(2)13-11(20(22)23)12(15-9-16-13)17-18-14(21)10-6-5-8-24-10/h5-6,8-9H,3-4,7H2,1-2H3,(H,18,21)(H,15,16,17)
InChIKeyWUJDLMYDXDTUKU-UHFFFAOYSA-N
XLogP1.97
TPSA126.43 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.34
LogP ≤ 51.97
H-Bond Donors ≤ 52
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-(3-methoxypropylamino)-5-nitropyrimidin-4-yl]furan-2-carbohydrazide
CID 22526553
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-(2,4-dimethylanilino)-5-nitropyrimidin-4-yl]furan-2-carbohydrazide
CID 23495475
N'-[6-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-5-nitropyrimidin-4-yl]furan-2-carbohydrazide
CID 22533943
N'-[6-(2-methoxyanilino)-5-nitropyrimidin-4-yl]furan-2-carbohydrazide
CID 22532304
N'-[6-[2-(4-bromobenzoyl)hydrazinyl]-5-nitropyrimidin-4-yl]furan-2-carbohydrazide
CID 22535448
4-N-butyl-6-N-(2-fluorophenyl)-4-N-methyl-5-nitropyrimidine-4,6-diamine
CID 23491728
N'-[6-(4-ethylpiperazin-1-yl)-5-nitropyrimidin-4-yl]furan-2-carbohydrazide
CID 23490359
N'-[6-(3-chloro-2-methylanilino)-5-nitropyrimidin-4-yl]furan-2-carbohydrazide
CID 23484051
N'-[6-(cyclopentylamino)-5-nitropyrimidin-4-yl]furan-2-carbohydrazide
CID 22536797
4-N-butyl-4-N-methyl-6-N-(3-methylphenyl)-5-nitropyrimidine-4,6-diamine
CID 23491754

Frequently Asked Questions

What is the IUPAC name of N'-[6-[butyl(methyl)amino]-5-nitropyrimidin-4-yl]furan-2-carbohydrazide?
The IUPAC name of N'-[6-[butyl(methyl)amino]-5-nitropyrimidin-4-yl]furan-2-carbohydrazide (CID 23491801) is N'-[6-[butyl(methyl)amino]-5-nitropyrimidin-4-yl]furan-2-carbohydrazide.
What is the SMILES notation for N'-[6-[butyl(methyl)amino]-5-nitropyrimidin-4-yl]furan-2-carbohydrazide?
The canonical SMILES for N'-[6-[butyl(methyl)amino]-5-nitropyrimidin-4-yl]furan-2-carbohydrazide is CCCCN(C)c1ncnc(NNC(=O)c2ccco2)c1[N+](=O)[O-].
What is the InChIKey of N'-[6-[butyl(methyl)amino]-5-nitropyrimidin-4-yl]furan-2-carbohydrazide?
The InChIKey is WUJDLMYDXDTUKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6O4/c1-3-4-7-19(2)13-11(20(22)23)12(15-9-16-13)17-18-14(21)10-6-5-8-24-10/h5-6,8-9H,3-4,7H2,1-2H3,(H,18,21)(H,15,16,17).
What are the key properties of N'-[6-[butyl(methyl)amino]-5-nitropyrimidin-4-yl]furan-2-carbohydrazide?
N'-[6-[butyl(methyl)amino]-5-nitropyrimidin-4-yl]furan-2-carbohydrazide has a molecular weight of 334.34 g/mol, XLogP of 1.97, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[6-[butyl(methyl)amino]-5-nitropyrimidin-4-yl]furan-2-carbohydrazide is sourced from PubChem (CID 23491801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).