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

C15H10Cl2N6O4 — CID 23485550

IUPACN'-[6-(3,4-dichloroanilino)-5-nitropyrimidin-4-yl]furan-2-carbohydrazide
SMILESO=C(NNc1ncnc(Nc2ccc(Cl)c(Cl)c2)c1[N+](=O)[O-])c1ccco1
InChIInChI=1S/C15H10Cl2N6O4/c16-9-4-3-8(6-10(9)17)20-13-12(23(25)26)14(19-7-18-13)21-22-15(24)11-2-1-5-27-11/h1-7H,(H,22,24)(H2,18,19,20,21)
InChIKeyROWAWMIZDKJHBV-UHFFFAOYSA-N
MW409.19 g/mol
LogP3.79
Rot. Bonds6

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

N'-[6-(3,4-dichloroanilino)-5-nitropyrimidin-4-yl]furan-2-carbohydrazide (PubChem CID 23485550) has the molecular formula C15H10Cl2N6O4 and a molecular weight of 409.19 g/mol. Its IUPAC name is N'-[6-(3,4-dichloroanilino)-5-nitropyrimidin-4-yl]furan-2-carbohydrazide.

Molecular Properties

Compound NameN'-[6-(3,4-dichloroanilino)-5-nitropyrimidin-4-yl]furan-2-carbohydrazide
PubChem CID23485550
Molecular FormulaC15H10Cl2N6O4
Molecular Weight409.19 g/mol
Exact Mass408.01
IUPAC NameN'-[6-(3,4-dichloroanilino)-5-nitropyrimidin-4-yl]furan-2-carbohydrazide
SMILESO=C(NNc1ncnc(Nc2ccc(Cl)c(Cl)c2)c1[N+](=O)[O-])c1ccco1
InChIInChI=1S/C15H10Cl2N6O4/c16-9-4-3-8(6-10(9)17)20-13-12(23(25)26)14(19-7-18-13)21-22-15(24)11-2-1-5-27-11/h1-7H,(H,22,24)(H2,18,19,20,21)
InChIKeyROWAWMIZDKJHBV-UHFFFAOYSA-N
XLogP3.79
TPSA135.22 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.19
LogP ≤ 53.79
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-(3,5-dimethylanilino)-5-nitropyrimidin-4-yl]furan-2-carbohydrazide
CID 23479503
4-[[6-[2-(furan-2-carbonyl)hydrazinyl]-5-nitropyrimidin-4-yl]amino]benzoic acid
CID 22536812
N'-[5-nitro-6-[2-(4-nitrophenyl)hydrazinyl]pyrimidin-4-yl]furan-2-carbohydrazide
CID 22526845
N'-[6-(3-chloro-2-methylanilino)-5-nitropyrimidin-4-yl]furan-2-carbohydrazide
CID 23484051
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-(2,4-dimethylanilino)-5-nitropyrimidin-4-yl]furan-2-carbohydrazide
CID 23495475
N'-[6-(2,4-difluoroanilino)-5-nitropyrimidin-4-yl]furan-2-carbohydrazide
CID 22536795
N'-[6-[2-(4-bromobenzoyl)hydrazinyl]-5-nitropyrimidin-4-yl]furan-2-carbohydrazide
CID 22535448
N'-[6-(cyclopentylamino)-5-nitropyrimidin-4-yl]furan-2-carbohydrazide
CID 22536797
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

Frequently Asked Questions

What is the IUPAC name of N'-[6-(3,4-dichloroanilino)-5-nitropyrimidin-4-yl]furan-2-carbohydrazide?
The IUPAC name of N'-[6-(3,4-dichloroanilino)-5-nitropyrimidin-4-yl]furan-2-carbohydrazide (CID 23485550) is N'-[6-(3,4-dichloroanilino)-5-nitropyrimidin-4-yl]furan-2-carbohydrazide.
What is the SMILES notation for N'-[6-(3,4-dichloroanilino)-5-nitropyrimidin-4-yl]furan-2-carbohydrazide?
The canonical SMILES for N'-[6-(3,4-dichloroanilino)-5-nitropyrimidin-4-yl]furan-2-carbohydrazide is O=C(NNc1ncnc(Nc2ccc(Cl)c(Cl)c2)c1[N+](=O)[O-])c1ccco1.
What is the InChIKey of N'-[6-(3,4-dichloroanilino)-5-nitropyrimidin-4-yl]furan-2-carbohydrazide?
The InChIKey is ROWAWMIZDKJHBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2N6O4/c16-9-4-3-8(6-10(9)17)20-13-12(23(25)26)14(19-7-18-13)21-22-15(24)11-2-1-5-27-11/h1-7H,(H,22,24)(H2,18,19,20,21).
What are the key properties of N'-[6-(3,4-dichloroanilino)-5-nitropyrimidin-4-yl]furan-2-carbohydrazide?
N'-[6-(3,4-dichloroanilino)-5-nitropyrimidin-4-yl]furan-2-carbohydrazide has a molecular weight of 409.19 g/mol, XLogP of 3.79, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[6-(3,4-dichloroanilino)-5-nitropyrimidin-4-yl]furan-2-carbohydrazide is sourced from PubChem (CID 23485550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).