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

C10H7ClFN3 — CID 122238917

IUPAC6-(2-chloro-6-fluorophenyl)pyrimidin-4-amine
SMILESNc1cc(-c2c(F)cccc2Cl)ncn1
InChIInChI=1S/C10H7ClFN3/c11-6-2-1-3-7(12)10(6)8-4-9(13)15-5-14-8/h1-5H,(H2,13,14,15)
InChIKeyAYLQSEKIUBVIIK-UHFFFAOYSA-N
MW223.64 g/mol
LogP2.52
Rot. Bonds1

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

6-(2-chloro-6-fluorophenyl)pyrimidin-4-amine (PubChem CID 122238917) has the molecular formula C10H7ClFN3 and a molecular weight of 223.64 g/mol. Its IUPAC name is 6-(2-chloro-6-fluorophenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-(2-chloro-6-fluorophenyl)pyrimidin-4-amine
PubChem CID122238917
Molecular FormulaC10H7ClFN3
Molecular Weight223.64 g/mol
Exact Mass223.03
IUPAC Name6-(2-chloro-6-fluorophenyl)pyrimidin-4-amine
SMILESNc1cc(-c2c(F)cccc2Cl)ncn1
InChIInChI=1S/C10H7ClFN3/c11-6-2-1-3-7(12)10(6)8-4-9(13)15-5-14-8/h1-5H,(H2,13,14,15)
InChIKeyAYLQSEKIUBVIIK-UHFFFAOYSA-N
XLogP2.52
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.64
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(2-chloro-6-fluorophenyl)pyrimidin-4-amine?
The IUPAC name of 6-(2-chloro-6-fluorophenyl)pyrimidin-4-amine (CID 122238917) is 6-(2-chloro-6-fluorophenyl)pyrimidin-4-amine.
What is the SMILES notation for 6-(2-chloro-6-fluorophenyl)pyrimidin-4-amine?
The canonical SMILES for 6-(2-chloro-6-fluorophenyl)pyrimidin-4-amine is Nc1cc(-c2c(F)cccc2Cl)ncn1.
What is the InChIKey of 6-(2-chloro-6-fluorophenyl)pyrimidin-4-amine?
The InChIKey is AYLQSEKIUBVIIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClFN3/c11-6-2-1-3-7(12)10(6)8-4-9(13)15-5-14-8/h1-5H,(H2,13,14,15).
What are the key properties of 6-(2-chloro-6-fluorophenyl)pyrimidin-4-amine?
6-(2-chloro-6-fluorophenyl)pyrimidin-4-amine has a molecular weight of 223.64 g/mol, XLogP of 2.52, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chloro-6-fluorophenyl)pyrimidin-4-amine is sourced from PubChem (CID 122238917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).