N-(4-fluoro-2-iodophenyl)-6-hydrazinyl-5-nitropyrimidin-4-amine

C10H8FIN6O2 — CID 80930163

IUPACN-(4-fluoro-2-iodophenyl)-6-hydrazinyl-5-nitropyrimidin-4-amine
SMILESNNc1ncnc(Nc2ccc(F)cc2I)c1[N+](=O)[O-]
InChIInChI=1S/C10H8FIN6O2/c11-5-1-2-7(6(12)3-5)16-9-8(18(19)20)10(17-13)15-4-14-9/h1-4H,13H2,(H2,14,15,16,17)
InChIKeyKCFCYFQCVKRNEJ-UHFFFAOYSA-N
MW390.12 g/mol
LogP2.16
Rot. Bonds4

About N-(4-fluoro-2-iodophenyl)-6-hydrazinyl-5-nitropyrimidin-4-amine

N-(4-fluoro-2-iodophenyl)-6-hydrazinyl-5-nitropyrimidin-4-amine (PubChem CID 80930163) has the molecular formula C10H8FIN6O2 and a molecular weight of 390.12 g/mol. Its IUPAC name is N-(4-fluoro-2-iodophenyl)-6-hydrazinyl-5-nitropyrimidin-4-amine.

Molecular Properties

Compound NameN-(4-fluoro-2-iodophenyl)-6-hydrazinyl-5-nitropyrimidin-4-amine
PubChem CID80930163
Molecular FormulaC10H8FIN6O2
Molecular Weight390.12 g/mol
Exact Mass389.97
IUPAC NameN-(4-fluoro-2-iodophenyl)-6-hydrazinyl-5-nitropyrimidin-4-amine
SMILESNNc1ncnc(Nc2ccc(F)cc2I)c1[N+](=O)[O-]
InChIInChI=1S/C10H8FIN6O2/c11-5-1-2-7(6(12)3-5)16-9-8(18(19)20)10(17-13)15-4-14-9/h1-4H,13H2,(H2,14,15,16,17)
InChIKeyKCFCYFQCVKRNEJ-UHFFFAOYSA-N
XLogP2.16
TPSA119.00 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.12
LogP ≤ 52.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

6-hydrazinyl-5-nitro-N-(2,3,5-trifluorophenyl)pyrimidin-4-amine
CID 80904013
4-N-(2,4-difluorophenyl)-6-N-(2,4-dimethylphenyl)-5-nitropyrimidine-4,6-diamine
CID 22525671
N-[(2,5-difluorophenyl)methyl]-6-hydrazinyl-5-nitropyrimidin-4-amine
CID 80907475
N-(3,5-dichloro-4-fluorophenyl)-6-hydrazinyl-5-nitropyrimidin-4-amine
CID 107581042
6-N-(4-bromophenyl)-4-N-(2,4-difluorophenyl)-5-nitropyrimidine-4,6-diamine
CID 22533130
4-N-(2,5-dichlorophenyl)-6-N-(2,4-difluorophenyl)-5-nitropyrimidine-4,6-diamine
CID 22530862
N-(5-bromo-2-methylphenyl)-6-hydrazinyl-5-nitropyrimidin-4-amine
CID 80898951
4-N-(4-fluoro-2-methoxyphenyl)-5-nitropyrimidine-4,6-diamine
CID 80804524
6-N-(4-chloro-2-methylphenyl)-4-N-(2,5-difluorophenyl)-5-nitropyrimidine-4,6-diamine
CID 23485163
4-N-(2,5-difluorophenyl)-6-N-(3,5-dimethylphenyl)-5-nitropyrimidine-4,6-diamine
CID 23479539
4-N-(2,4-difluorophenyl)-6-N-(4-ethylphenyl)-5-nitropyrimidine-4,6-diamine
CID 23482985
6-N-(4-bromophenyl)-4-N-(2,5-difluorophenyl)-5-nitropyrimidine-4,6-diamine
CID 22533129

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-2-iodophenyl)-6-hydrazinyl-5-nitropyrimidin-4-amine?
The IUPAC name of N-(4-fluoro-2-iodophenyl)-6-hydrazinyl-5-nitropyrimidin-4-amine (CID 80930163) is N-(4-fluoro-2-iodophenyl)-6-hydrazinyl-5-nitropyrimidin-4-amine.
What is the SMILES notation for N-(4-fluoro-2-iodophenyl)-6-hydrazinyl-5-nitropyrimidin-4-amine?
The canonical SMILES for N-(4-fluoro-2-iodophenyl)-6-hydrazinyl-5-nitropyrimidin-4-amine is NNc1ncnc(Nc2ccc(F)cc2I)c1[N+](=O)[O-].
What is the InChIKey of N-(4-fluoro-2-iodophenyl)-6-hydrazinyl-5-nitropyrimidin-4-amine?
The InChIKey is KCFCYFQCVKRNEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FIN6O2/c11-5-1-2-7(6(12)3-5)16-9-8(18(19)20)10(17-13)15-4-14-9/h1-4H,13H2,(H2,14,15,16,17).
What are the key properties of N-(4-fluoro-2-iodophenyl)-6-hydrazinyl-5-nitropyrimidin-4-amine?
N-(4-fluoro-2-iodophenyl)-6-hydrazinyl-5-nitropyrimidin-4-amine has a molecular weight of 390.12 g/mol, XLogP of 2.16, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-2-iodophenyl)-6-hydrazinyl-5-nitropyrimidin-4-amine is sourced from PubChem (CID 80930163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).