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

C15H12Cl2N6O2 — CID 19146753

IUPACN'-[5-amino-6-(2,5-dichloroanilino)pyrimidin-4-yl]furan-2-carbohydrazide
SMILESNc1c(NNC(=O)c2ccco2)ncnc1Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C15H12Cl2N6O2/c16-8-3-4-9(17)10(6-8)21-13-12(18)14(20-7-19-13)22-23-15(24)11-2-1-5-25-11/h1-7H,18H2,(H,23,24)(H2,19,20,21,22)
InChIKeyVFNWXFKFLSKZDQ-UHFFFAOYSA-N
MW379.21 g/mol
LogP3.46
Rot. Bonds5

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

N'-[5-amino-6-(2,5-dichloroanilino)pyrimidin-4-yl]furan-2-carbohydrazide (PubChem CID 19146753) has the molecular formula C15H12Cl2N6O2 and a molecular weight of 379.21 g/mol. Its IUPAC name is N'-[5-amino-6-(2,5-dichloroanilino)pyrimidin-4-yl]furan-2-carbohydrazide.

Molecular Properties

Compound NameN'-[5-amino-6-(2,5-dichloroanilino)pyrimidin-4-yl]furan-2-carbohydrazide
PubChem CID19146753
Molecular FormulaC15H12Cl2N6O2
Molecular Weight379.21 g/mol
Exact Mass378.04
IUPAC NameN'-[5-amino-6-(2,5-dichloroanilino)pyrimidin-4-yl]furan-2-carbohydrazide
SMILESNc1c(NNC(=O)c2ccco2)ncnc1Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C15H12Cl2N6O2/c16-8-3-4-9(17)10(6-8)21-13-12(18)14(20-7-19-13)22-23-15(24)11-2-1-5-25-11/h1-7H,18H2,(H,23,24)(H2,19,20,21,22)
InChIKeyVFNWXFKFLSKZDQ-UHFFFAOYSA-N
XLogP3.46
TPSA118.10 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.21
LogP ≤ 53.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N'-[5-amino-6-[(5-chloro-2-pyridinyl)amino]pyrimidin-4-yl]furan-2-carbohydrazide
CID 19147119
N'-[5-amino-6-(2,5-dichloroanilino)pyrimidin-4-yl]-2-phenylacetohydrazide
CID 19146756
N'-[5-amino-6-(2,5-dichloroanilino)pyrimidin-4-yl]-2-methylbenzohydrazide
CID 19146738
N'-[5-amino-6-(2,3-dimethylanilino)pyrimidin-4-yl]furan-2-carbohydrazide
CID 19143204
N'-[5-amino-6-[2-(2-phenylacetyl)hydrazinyl]pyrimidin-4-yl]furan-2-carbohydrazide
CID 19152033
ethyl 2-[[5-amino-6-[2-(furan-2-carbonyl)hydrazinyl]pyrimidin-4-yl]amino]benzoate
CID 19152080
N'-[5-amino-6-(benzhydrylamino)pyrimidin-4-yl]furan-2-carbohydrazide
CID 19150190
N'-[5-amino-6-(2,5-dichloroanilino)pyrimidin-4-yl]-2-(2,4-dichlorophenoxy)acetohydrazide
CID 19146758
N'-[5-amino-6-(5-chloro-2-methylanilino)pyrimidin-4-yl]-2-methylbenzohydrazide
CID 22547281
N'-[6-(3,4-dichloroanilino)-5-nitropyrimidin-4-yl]furan-2-carbohydrazide
CID 23485550
N'-[5-amino-6-(propylamino)pyrimidin-4-yl]furan-2-carbohydrazide
CID 19135482
N'-[5-amino-6-(2,4-dichloroanilino)pyrimidin-4-yl]-2-bromobenzohydrazide
CID 19149808

Frequently Asked Questions

What is the IUPAC name of N'-[5-amino-6-(2,5-dichloroanilino)pyrimidin-4-yl]furan-2-carbohydrazide?
The IUPAC name of N'-[5-amino-6-(2,5-dichloroanilino)pyrimidin-4-yl]furan-2-carbohydrazide (CID 19146753) is N'-[5-amino-6-(2,5-dichloroanilino)pyrimidin-4-yl]furan-2-carbohydrazide.
What is the SMILES notation for N'-[5-amino-6-(2,5-dichloroanilino)pyrimidin-4-yl]furan-2-carbohydrazide?
The canonical SMILES for N'-[5-amino-6-(2,5-dichloroanilino)pyrimidin-4-yl]furan-2-carbohydrazide is Nc1c(NNC(=O)c2ccco2)ncnc1Nc1cc(Cl)ccc1Cl.
What is the InChIKey of N'-[5-amino-6-(2,5-dichloroanilino)pyrimidin-4-yl]furan-2-carbohydrazide?
The InChIKey is VFNWXFKFLSKZDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2N6O2/c16-8-3-4-9(17)10(6-8)21-13-12(18)14(20-7-19-13)22-23-15(24)11-2-1-5-25-11/h1-7H,18H2,(H,23,24)(H2,19,20,21,22).
What are the key properties of N'-[5-amino-6-(2,5-dichloroanilino)pyrimidin-4-yl]furan-2-carbohydrazide?
N'-[5-amino-6-(2,5-dichloroanilino)pyrimidin-4-yl]furan-2-carbohydrazide has a molecular weight of 379.21 g/mol, XLogP of 3.46, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[5-amino-6-(2,5-dichloroanilino)pyrimidin-4-yl]furan-2-carbohydrazide is sourced from PubChem (CID 19146753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).