N-(3,5-dichloro-4-fluorophenyl)-5-iodopyrimidin-4-amine

C10H5Cl2FIN3 — CID 107577807

IUPACN-(3,5-dichloro-4-fluorophenyl)-5-iodopyrimidin-4-amine
SMILESFc1c(Cl)cc(Nc2ncncc2I)cc1Cl
InChIInChI=1S/C10H5Cl2FIN3/c11-6-1-5(2-7(12)9(6)13)17-10-8(14)3-15-4-16-10/h1-4H,(H,15,16,17)
InChIKeyDSIPFFQUIISNKF-UHFFFAOYSA-N
MW383.98 g/mol
LogP4.27
Rot. Bonds2

About N-(3,5-dichloro-4-fluorophenyl)-5-iodopyrimidin-4-amine

N-(3,5-dichloro-4-fluorophenyl)-5-iodopyrimidin-4-amine (PubChem CID 107577807) has the molecular formula C10H5Cl2FIN3 and a molecular weight of 383.98 g/mol. Its IUPAC name is N-(3,5-dichloro-4-fluorophenyl)-5-iodopyrimidin-4-amine.

Molecular Properties

Compound NameN-(3,5-dichloro-4-fluorophenyl)-5-iodopyrimidin-4-amine
PubChem CID107577807
Molecular FormulaC10H5Cl2FIN3
Molecular Weight383.98 g/mol
Exact Mass382.89
IUPAC NameN-(3,5-dichloro-4-fluorophenyl)-5-iodopyrimidin-4-amine
SMILESFc1c(Cl)cc(Nc2ncncc2I)cc1Cl
InChIInChI=1S/C10H5Cl2FIN3/c11-6-1-5(2-7(12)9(6)13)17-10-8(14)3-15-4-16-10/h1-4H,(H,15,16,17)
InChIKeyDSIPFFQUIISNKF-UHFFFAOYSA-N
XLogP4.27
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.98
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichloro-4-fluorophenyl)-5-iodopyrimidin-4-amine?
The IUPAC name of N-(3,5-dichloro-4-fluorophenyl)-5-iodopyrimidin-4-amine (CID 107577807) is N-(3,5-dichloro-4-fluorophenyl)-5-iodopyrimidin-4-amine.
What is the SMILES notation for N-(3,5-dichloro-4-fluorophenyl)-5-iodopyrimidin-4-amine?
The canonical SMILES for N-(3,5-dichloro-4-fluorophenyl)-5-iodopyrimidin-4-amine is Fc1c(Cl)cc(Nc2ncncc2I)cc1Cl.
What is the InChIKey of N-(3,5-dichloro-4-fluorophenyl)-5-iodopyrimidin-4-amine?
The InChIKey is DSIPFFQUIISNKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5Cl2FIN3/c11-6-1-5(2-7(12)9(6)13)17-10-8(14)3-15-4-16-10/h1-4H,(H,15,16,17).
What are the key properties of N-(3,5-dichloro-4-fluorophenyl)-5-iodopyrimidin-4-amine?
N-(3,5-dichloro-4-fluorophenyl)-5-iodopyrimidin-4-amine has a molecular weight of 383.98 g/mol, XLogP of 4.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichloro-4-fluorophenyl)-5-iodopyrimidin-4-amine is sourced from PubChem (CID 107577807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).