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

C10H3F6N3 — CID 115564728

IUPAC6-fluoro-N-(2,3,4,5,6-pentafluorophenyl)pyrimidin-4-amine
SMILESFc1cc(Nc2c(F)c(F)c(F)c(F)c2F)ncn1
InChIInChI=1S/C10H3F6N3/c11-3-1-4(18-2-17-3)19-10-8(15)6(13)5(12)7(14)9(10)16/h1-2H,(H,17,18,19)
InChIKeyUFBWIXZMOZKZQX-UHFFFAOYSA-N
MW279.14 g/mol
LogP3.05
Rot. Bonds2

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

6-fluoro-N-(2,3,4,5,6-pentafluorophenyl)pyrimidin-4-amine (PubChem CID 115564728) has the molecular formula C10H3F6N3 and a molecular weight of 279.14 g/mol. Its IUPAC name is 6-fluoro-N-(2,3,4,5,6-pentafluorophenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-fluoro-N-(2,3,4,5,6-pentafluorophenyl)pyrimidin-4-amine
PubChem CID115564728
Molecular FormulaC10H3F6N3
Molecular Weight279.14 g/mol
Exact Mass279.02
IUPAC Name6-fluoro-N-(2,3,4,5,6-pentafluorophenyl)pyrimidin-4-amine
SMILESFc1cc(Nc2c(F)c(F)c(F)c(F)c2F)ncn1
InChIInChI=1S/C10H3F6N3/c11-3-1-4(18-2-17-3)19-10-8(15)6(13)5(12)7(14)9(10)16/h1-2H,(H,17,18,19)
InChIKeyUFBWIXZMOZKZQX-UHFFFAOYSA-N
XLogP3.05
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.14
LogP ≤ 53.05
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 6-fluoro-N-(2,3,4,5,6-pentafluorophenyl)pyrimidin-4-amine?
The IUPAC name of 6-fluoro-N-(2,3,4,5,6-pentafluorophenyl)pyrimidin-4-amine (CID 115564728) is 6-fluoro-N-(2,3,4,5,6-pentafluorophenyl)pyrimidin-4-amine.
What is the SMILES notation for 6-fluoro-N-(2,3,4,5,6-pentafluorophenyl)pyrimidin-4-amine?
The canonical SMILES for 6-fluoro-N-(2,3,4,5,6-pentafluorophenyl)pyrimidin-4-amine is Fc1cc(Nc2c(F)c(F)c(F)c(F)c2F)ncn1.
What is the InChIKey of 6-fluoro-N-(2,3,4,5,6-pentafluorophenyl)pyrimidin-4-amine?
The InChIKey is UFBWIXZMOZKZQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H3F6N3/c11-3-1-4(18-2-17-3)19-10-8(15)6(13)5(12)7(14)9(10)16/h1-2H,(H,17,18,19).
What are the key properties of 6-fluoro-N-(2,3,4,5,6-pentafluorophenyl)pyrimidin-4-amine?
6-fluoro-N-(2,3,4,5,6-pentafluorophenyl)pyrimidin-4-amine has a molecular weight of 279.14 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-(2,3,4,5,6-pentafluorophenyl)pyrimidin-4-amine is sourced from PubChem (CID 115564728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).