4-(4-fluorophenyl)-6-propan-2-ylpyrimidin-2-amine

C13H14FN3 — CID 14545360

IUPAC4-(4-fluorophenyl)-6-propan-2-ylpyrimidin-2-amine
SMILESCC(C)c1cc(-c2ccc(F)cc2)nc(N)n1
InChIInChI=1S/C13H14FN3/c1-8(2)11-7-12(17-13(15)16-11)9-3-5-10(14)6-4-9/h3-8H,1-2H3,(H2,15,16,17)
InChIKeyVIQUKKCAYSMRHC-UHFFFAOYSA-N
MW231.27 g/mol
LogP2.99
Rot. Bonds2

About 4-(4-fluorophenyl)-6-propan-2-ylpyrimidin-2-amine

4-(4-fluorophenyl)-6-propan-2-ylpyrimidin-2-amine (PubChem CID 14545360) has the molecular formula C13H14FN3 and a molecular weight of 231.27 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-6-propan-2-ylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(4-fluorophenyl)-6-propan-2-ylpyrimidin-2-amine
PubChem CID14545360
Molecular FormulaC13H14FN3
Molecular Weight231.27 g/mol
Exact Mass231.12
IUPAC Name4-(4-fluorophenyl)-6-propan-2-ylpyrimidin-2-amine
SMILESCC(C)c1cc(-c2ccc(F)cc2)nc(N)n1
InChIInChI=1S/C13H14FN3/c1-8(2)11-7-12(17-13(15)16-11)9-3-5-10(14)6-4-9/h3-8H,1-2H3,(H2,15,16,17)
InChIKeyVIQUKKCAYSMRHC-UHFFFAOYSA-N
XLogP2.99
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.27
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-6-propan-2-ylpyrimidin-2-amine?
The IUPAC name of 4-(4-fluorophenyl)-6-propan-2-ylpyrimidin-2-amine (CID 14545360) is 4-(4-fluorophenyl)-6-propan-2-ylpyrimidin-2-amine.
What is the SMILES notation for 4-(4-fluorophenyl)-6-propan-2-ylpyrimidin-2-amine?
The canonical SMILES for 4-(4-fluorophenyl)-6-propan-2-ylpyrimidin-2-amine is CC(C)c1cc(-c2ccc(F)cc2)nc(N)n1.
What is the InChIKey of 4-(4-fluorophenyl)-6-propan-2-ylpyrimidin-2-amine?
The InChIKey is VIQUKKCAYSMRHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3/c1-8(2)11-7-12(17-13(15)16-11)9-3-5-10(14)6-4-9/h3-8H,1-2H3,(H2,15,16,17).
What are the key properties of 4-(4-fluorophenyl)-6-propan-2-ylpyrimidin-2-amine?
4-(4-fluorophenyl)-6-propan-2-ylpyrimidin-2-amine has a molecular weight of 231.27 g/mol, XLogP of 2.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-6-propan-2-ylpyrimidin-2-amine is sourced from PubChem (CID 14545360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).