6-fluoro-N-(4-fluorophenyl)-N-methylpyrimidin-4-amine

C11H9F2N3 — CID 115416846

IUPAC6-fluoro-N-(4-fluorophenyl)-N-methylpyrimidin-4-amine
SMILESCN(c1ccc(F)cc1)c1cc(F)ncn1
InChIInChI=1S/C11H9F2N3/c1-16(9-4-2-8(12)3-5-9)11-6-10(13)14-7-15-11/h2-7H,1H3
InChIKeyQZEVJFAIHSUJHG-UHFFFAOYSA-N
MW221.21 g/mol
LogP2.52
Rot. Bonds2

About 6-fluoro-N-(4-fluorophenyl)-N-methylpyrimidin-4-amine

6-fluoro-N-(4-fluorophenyl)-N-methylpyrimidin-4-amine (PubChem CID 115416846) has the molecular formula C11H9F2N3 and a molecular weight of 221.21 g/mol. Its IUPAC name is 6-fluoro-N-(4-fluorophenyl)-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-fluoro-N-(4-fluorophenyl)-N-methylpyrimidin-4-amine
PubChem CID115416846
Molecular FormulaC11H9F2N3
Molecular Weight221.21 g/mol
Exact Mass221.08
IUPAC Name6-fluoro-N-(4-fluorophenyl)-N-methylpyrimidin-4-amine
SMILESCN(c1ccc(F)cc1)c1cc(F)ncn1
InChIInChI=1S/C11H9F2N3/c1-16(9-4-2-8(12)3-5-9)11-6-10(13)14-7-15-11/h2-7H,1H3
InChIKeyQZEVJFAIHSUJHG-UHFFFAOYSA-N
XLogP2.52
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.21
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-(4-fluorophenyl)-N-methylpyrimidin-4-amine?
The IUPAC name of 6-fluoro-N-(4-fluorophenyl)-N-methylpyrimidin-4-amine (CID 115416846) is 6-fluoro-N-(4-fluorophenyl)-N-methylpyrimidin-4-amine.
What is the SMILES notation for 6-fluoro-N-(4-fluorophenyl)-N-methylpyrimidin-4-amine?
The canonical SMILES for 6-fluoro-N-(4-fluorophenyl)-N-methylpyrimidin-4-amine is CN(c1ccc(F)cc1)c1cc(F)ncn1.
What is the InChIKey of 6-fluoro-N-(4-fluorophenyl)-N-methylpyrimidin-4-amine?
The InChIKey is QZEVJFAIHSUJHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F2N3/c1-16(9-4-2-8(12)3-5-9)11-6-10(13)14-7-15-11/h2-7H,1H3.
What are the key properties of 6-fluoro-N-(4-fluorophenyl)-N-methylpyrimidin-4-amine?
6-fluoro-N-(4-fluorophenyl)-N-methylpyrimidin-4-amine has a molecular weight of 221.21 g/mol, XLogP of 2.52, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-(4-fluorophenyl)-N-methylpyrimidin-4-amine is sourced from PubChem (CID 115416846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).