5-bromo-4-chloro-6-(2-fluorophenyl)pyrimidin-2-amine

C10H6BrClFN3 — CID 146266610

IUPAC5-bromo-4-chloro-6-(2-fluorophenyl)pyrimidin-2-amine
SMILESNc1nc(Cl)c(Br)c(-c2ccccc2F)n1
InChIInChI=1S/C10H6BrClFN3/c11-7-8(15-10(14)16-9(7)12)5-3-1-2-4-6(5)13/h1-4H,(H2,14,15,16)
InChIKeyPPVPZNNIKITIFW-UHFFFAOYSA-N
MW302.53 g/mol
LogP3.28
Rot. Bonds1

About 5-bromo-4-chloro-6-(2-fluorophenyl)pyrimidin-2-amine

5-bromo-4-chloro-6-(2-fluorophenyl)pyrimidin-2-amine (PubChem CID 146266610) has the molecular formula C10H6BrClFN3 and a molecular weight of 302.53 g/mol. Its IUPAC name is 5-bromo-4-chloro-6-(2-fluorophenyl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-bromo-4-chloro-6-(2-fluorophenyl)pyrimidin-2-amine
PubChem CID146266610
Molecular FormulaC10H6BrClFN3
Molecular Weight302.53 g/mol
Exact Mass300.94
IUPAC Name5-bromo-4-chloro-6-(2-fluorophenyl)pyrimidin-2-amine
SMILESNc1nc(Cl)c(Br)c(-c2ccccc2F)n1
InChIInChI=1S/C10H6BrClFN3/c11-7-8(15-10(14)16-9(7)12)5-3-1-2-4-6(5)13/h1-4H,(H2,14,15,16)
InChIKeyPPVPZNNIKITIFW-UHFFFAOYSA-N
XLogP3.28
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.53
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-chloro-6-(2-fluorophenyl)pyrimidin-2-amine?
The IUPAC name of 5-bromo-4-chloro-6-(2-fluorophenyl)pyrimidin-2-amine (CID 146266610) is 5-bromo-4-chloro-6-(2-fluorophenyl)pyrimidin-2-amine.
What is the SMILES notation for 5-bromo-4-chloro-6-(2-fluorophenyl)pyrimidin-2-amine?
The canonical SMILES for 5-bromo-4-chloro-6-(2-fluorophenyl)pyrimidin-2-amine is Nc1nc(Cl)c(Br)c(-c2ccccc2F)n1.
What is the InChIKey of 5-bromo-4-chloro-6-(2-fluorophenyl)pyrimidin-2-amine?
The InChIKey is PPVPZNNIKITIFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrClFN3/c11-7-8(15-10(14)16-9(7)12)5-3-1-2-4-6(5)13/h1-4H,(H2,14,15,16).
What are the key properties of 5-bromo-4-chloro-6-(2-fluorophenyl)pyrimidin-2-amine?
5-bromo-4-chloro-6-(2-fluorophenyl)pyrimidin-2-amine has a molecular weight of 302.53 g/mol, XLogP of 3.28, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-chloro-6-(2-fluorophenyl)pyrimidin-2-amine is sourced from PubChem (CID 146266610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).