2-(2,6-difluoro-3-nitrophenyl)-5-iodo-6-methylpyrimidin-4-amine

C11H7F2IN4O2 — CID 79757384

IUPAC2-(2,6-difluoro-3-nitrophenyl)-5-iodo-6-methylpyrimidin-4-amine
SMILESCc1nc(-c2c(F)ccc([N+](=O)[O-])c2F)nc(N)c1I
InChIInChI=1S/C11H7F2IN4O2/c1-4-9(14)10(15)17-11(16-4)7-5(12)2-3-6(8(7)13)18(19)20/h2-3H,1H3,(H2,15,16,17)
InChIKeyPROPJAFDDWIZLR-UHFFFAOYSA-N
MW392.10 g/mol
LogP2.83
Rot. Bonds2

About 2-(2,6-difluoro-3-nitrophenyl)-5-iodo-6-methylpyrimidin-4-amine

2-(2,6-difluoro-3-nitrophenyl)-5-iodo-6-methylpyrimidin-4-amine (PubChem CID 79757384) has the molecular formula C11H7F2IN4O2 and a molecular weight of 392.10 g/mol. Its IUPAC name is 2-(2,6-difluoro-3-nitrophenyl)-5-iodo-6-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(2,6-difluoro-3-nitrophenyl)-5-iodo-6-methylpyrimidin-4-amine
PubChem CID79757384
Molecular FormulaC11H7F2IN4O2
Molecular Weight392.10 g/mol
Exact Mass391.96
IUPAC Name2-(2,6-difluoro-3-nitrophenyl)-5-iodo-6-methylpyrimidin-4-amine
SMILESCc1nc(-c2c(F)ccc([N+](=O)[O-])c2F)nc(N)c1I
InChIInChI=1S/C11H7F2IN4O2/c1-4-9(14)10(15)17-11(16-4)7-5(12)2-3-6(8(7)13)18(19)20/h2-3H,1H3,(H2,15,16,17)
InChIKeyPROPJAFDDWIZLR-UHFFFAOYSA-N
XLogP2.83
TPSA94.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.10
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(2,6-difluoro-3-nitrophenyl)-5-iodo-6-methylpyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2,6-difluoro-3-nitrophenyl)-6-propan-2-ylpyrimidin-4-amine
CID 79755846
4-(2,6-difluoro-3-nitrophenyl)-1,3,5-triazin-2-amine
CID 79767338
5-(2,6-difluoro-3-nitrophenyl)-4-methyl-1,2-oxazol-3-amine
CID 79768783
2-[3-(2,6-difluoro-3-nitrophenyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine
CID 115428156
5-chloro-3-(2,6-difluoro-3-nitrophenyl)-1H-1,2,4-triazole
CID 79767644
2-(2,6-difluoro-3-nitrophenyl)-5-iodo-1,3,4-oxadiazole
CID 114771649
1-[3-(2,6-difluoro-3-nitrophenyl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-2-amine
CID 79753728
N-[[3-(2,6-difluoro-3-nitrophenyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine
CID 79756258
(2R)-2-amino-2-[3-(2,6-difluoro-3-nitrophenyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 114985996
2-(2,6-difluoro-3-nitrophenyl)-4-(methoxymethyl)-1,3-thiazole
CID 107511895
N-cyclopropyl-3-(2,6-difluoro-3-nitrophenyl)-1,2,4-oxadiazol-5-amine
CID 79755256
2-(2,6-difluoro-3-nitrophenyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one
CID 79756615

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluoro-3-nitrophenyl)-5-iodo-6-methylpyrimidin-4-amine?
The IUPAC name of 2-(2,6-difluoro-3-nitrophenyl)-5-iodo-6-methylpyrimidin-4-amine (CID 79757384) is 2-(2,6-difluoro-3-nitrophenyl)-5-iodo-6-methylpyrimidin-4-amine.
What is the SMILES notation for 2-(2,6-difluoro-3-nitrophenyl)-5-iodo-6-methylpyrimidin-4-amine?
The canonical SMILES for 2-(2,6-difluoro-3-nitrophenyl)-5-iodo-6-methylpyrimidin-4-amine is Cc1nc(-c2c(F)ccc([N+](=O)[O-])c2F)nc(N)c1I.
What is the InChIKey of 2-(2,6-difluoro-3-nitrophenyl)-5-iodo-6-methylpyrimidin-4-amine?
The InChIKey is PROPJAFDDWIZLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F2IN4O2/c1-4-9(14)10(15)17-11(16-4)7-5(12)2-3-6(8(7)13)18(19)20/h2-3H,1H3,(H2,15,16,17).
What are the key properties of 2-(2,6-difluoro-3-nitrophenyl)-5-iodo-6-methylpyrimidin-4-amine?
2-(2,6-difluoro-3-nitrophenyl)-5-iodo-6-methylpyrimidin-4-amine has a molecular weight of 392.10 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluoro-3-nitrophenyl)-5-iodo-6-methylpyrimidin-4-amine is sourced from PubChem (CID 79757384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).