5-(2,3,4,5,6-pentafluorophenyl)pyrimidin-2-amine

C10H4F5N3 — CID 125493633

IUPAC5-(2,3,4,5,6-pentafluorophenyl)pyrimidin-2-amine
SMILESNc1ncc(-c2c(F)c(F)c(F)c(F)c2F)cn1
InChIInChI=1S/C10H4F5N3/c11-5-4(3-1-17-10(16)18-2-3)6(12)8(14)9(15)7(5)13/h1-2H,(H2,16,17,18)
InChIKeyZXNPAMWQLUBMEP-UHFFFAOYSA-N
MW261.15 g/mol
LogP2.42
Rot. Bonds1

About 5-(2,3,4,5,6-pentafluorophenyl)pyrimidin-2-amine

5-(2,3,4,5,6-pentafluorophenyl)pyrimidin-2-amine (PubChem CID 125493633) has the molecular formula C10H4F5N3 and a molecular weight of 261.15 g/mol. Its IUPAC name is 5-(2,3,4,5,6-pentafluorophenyl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-(2,3,4,5,6-pentafluorophenyl)pyrimidin-2-amine
PubChem CID125493633
Molecular FormulaC10H4F5N3
Molecular Weight261.15 g/mol
Exact Mass261.03
IUPAC Name5-(2,3,4,5,6-pentafluorophenyl)pyrimidin-2-amine
SMILESNc1ncc(-c2c(F)c(F)c(F)c(F)c2F)cn1
InChIInChI=1S/C10H4F5N3/c11-5-4(3-1-17-10(16)18-2-3)6(12)8(14)9(15)7(5)13/h1-2H,(H2,16,17,18)
InChIKeyZXNPAMWQLUBMEP-UHFFFAOYSA-N
XLogP2.42
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.15
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(2,3,4,5,6-pentafluorophenyl)pyrimidin-2-amine?
The IUPAC name of 5-(2,3,4,5,6-pentafluorophenyl)pyrimidin-2-amine (CID 125493633) is 5-(2,3,4,5,6-pentafluorophenyl)pyrimidin-2-amine.
What is the SMILES notation for 5-(2,3,4,5,6-pentafluorophenyl)pyrimidin-2-amine?
The canonical SMILES for 5-(2,3,4,5,6-pentafluorophenyl)pyrimidin-2-amine is Nc1ncc(-c2c(F)c(F)c(F)c(F)c2F)cn1.
What is the InChIKey of 5-(2,3,4,5,6-pentafluorophenyl)pyrimidin-2-amine?
The InChIKey is ZXNPAMWQLUBMEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4F5N3/c11-5-4(3-1-17-10(16)18-2-3)6(12)8(14)9(15)7(5)13/h1-2H,(H2,16,17,18).
What are the key properties of 5-(2,3,4,5,6-pentafluorophenyl)pyrimidin-2-amine?
5-(2,3,4,5,6-pentafluorophenyl)pyrimidin-2-amine has a molecular weight of 261.15 g/mol, XLogP of 2.42, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3,4,5,6-pentafluorophenyl)pyrimidin-2-amine is sourced from PubChem (CID 125493633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).