N'-(2-amino-6-chloro-5-formylpyrimidin-4-yl)furan-2-carbohydrazide

C10H8ClN5O3 — CID 11335027

IUPACN'-(2-amino-6-chloro-5-formylpyrimidin-4-yl)furan-2-carbohydrazide
SMILESNc1nc(Cl)c(C=O)c(NNC(=O)c2ccco2)n1
InChIInChI=1S/C10H8ClN5O3/c11-7-5(4-17)8(14-10(12)13-7)15-16-9(18)6-2-1-3-19-6/h1-4H,(H,16,18)(H3,12,13,14,15)
InChIKeyIIEAJFVQJSLSPU-UHFFFAOYSA-N
MW281.66 g/mol
LogP0.87
Rot. Bonds4

About N'-(2-amino-6-chloro-5-formylpyrimidin-4-yl)furan-2-carbohydrazide

N'-(2-amino-6-chloro-5-formylpyrimidin-4-yl)furan-2-carbohydrazide (PubChem CID 11335027) has the molecular formula C10H8ClN5O3 and a molecular weight of 281.66 g/mol. Its IUPAC name is N'-(2-amino-6-chloro-5-formylpyrimidin-4-yl)furan-2-carbohydrazide.

Molecular Properties

Compound NameN'-(2-amino-6-chloro-5-formylpyrimidin-4-yl)furan-2-carbohydrazide
PubChem CID11335027
Molecular FormulaC10H8ClN5O3
Molecular Weight281.66 g/mol
Exact Mass281.03
IUPAC NameN'-(2-amino-6-chloro-5-formylpyrimidin-4-yl)furan-2-carbohydrazide
SMILESNc1nc(Cl)c(C=O)c(NNC(=O)c2ccco2)n1
InChIInChI=1S/C10H8ClN5O3/c11-7-5(4-17)8(14-10(12)13-7)15-16-9(18)6-2-1-3-19-6/h1-4H,(H,16,18)(H3,12,13,14,15)
InChIKeyIIEAJFVQJSLSPU-UHFFFAOYSA-N
XLogP0.87
TPSA123.14 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.66
LogP ≤ 50.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N'-(4-chlorophenyl)furan-2-carbohydrazide
CID 3043690
N'-[5-amino-6-(2,5-dichloroanilino)pyrimidin-4-yl]furan-2-carbohydrazide
CID 19146753
N'-[5-amino-6-[(5-chloro-2-pyridinyl)amino]pyrimidin-4-yl]furan-2-carbohydrazide
CID 19147119
N'-[5-amino-6-[2-(2-phenylacetyl)hydrazinyl]pyrimidin-4-yl]furan-2-carbohydrazide
CID 19152033
N'-(6-chloro-2-methylsulfanyl-5-phenylpyrimidin-4-yl)furan-2-carbohydrazide
CID 22002458
N'-[5-amino-6-(propylamino)pyrimidin-4-yl]furan-2-carbohydrazide
CID 19135482
N'-[2-amino-9-(2-hydroxyethyl)-7-(2-methoxyethyl)-8-oxopurin-6-yl]furan-2-carbohydrazide
CID 66828314
N'-[5-amino-6-(benzhydrylamino)pyrimidin-4-yl]furan-2-carbohydrazide
CID 19150190
N'-(3,5-dichlorophenyl)sulfonylfuran-2-carbohydrazide
CID 8616927
N'-[5-amino-6-[bis(2-methylpropyl)amino]pyrimidin-4-yl]furan-2-carbohydrazide
CID 19141013
N'-[5-amino-6-(2,3-dimethylanilino)pyrimidin-4-yl]furan-2-carbohydrazide
CID 19143204
N'-[5-amino-6-(3-methoxypropylamino)pyrimidin-4-yl]furan-2-carbohydrazide
CID 19144226

Frequently Asked Questions

What is the IUPAC name of N'-(2-amino-6-chloro-5-formylpyrimidin-4-yl)furan-2-carbohydrazide?
The IUPAC name of N'-(2-amino-6-chloro-5-formylpyrimidin-4-yl)furan-2-carbohydrazide (CID 11335027) is N'-(2-amino-6-chloro-5-formylpyrimidin-4-yl)furan-2-carbohydrazide.
What is the SMILES notation for N'-(2-amino-6-chloro-5-formylpyrimidin-4-yl)furan-2-carbohydrazide?
The canonical SMILES for N'-(2-amino-6-chloro-5-formylpyrimidin-4-yl)furan-2-carbohydrazide is Nc1nc(Cl)c(C=O)c(NNC(=O)c2ccco2)n1.
What is the InChIKey of N'-(2-amino-6-chloro-5-formylpyrimidin-4-yl)furan-2-carbohydrazide?
The InChIKey is IIEAJFVQJSLSPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClN5O3/c11-7-5(4-17)8(14-10(12)13-7)15-16-9(18)6-2-1-3-19-6/h1-4H,(H,16,18)(H3,12,13,14,15).
What are the key properties of N'-(2-amino-6-chloro-5-formylpyrimidin-4-yl)furan-2-carbohydrazide?
N'-(2-amino-6-chloro-5-formylpyrimidin-4-yl)furan-2-carbohydrazide has a molecular weight of 281.66 g/mol, XLogP of 0.87, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-amino-6-chloro-5-formylpyrimidin-4-yl)furan-2-carbohydrazide is sourced from PubChem (CID 11335027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).