3-[2-(4-fluorophenyl)pyrimidin-5-yl]-1-phenylpropan-1-amine

C19H18FN3 — CID 91132178

IUPAC3-[2-(4-fluorophenyl)pyrimidin-5-yl]-1-phenylpropan-1-amine
SMILESNC(CCc1cnc(-c2ccc(F)cc2)nc1)c1ccccc1
InChIInChI=1S/C19H18FN3/c20-17-9-7-16(8-10-17)19-22-12-14(13-23-19)6-11-18(21)15-4-2-1-3-5-15/h1-5,7-10,12-13,18H,6,11,21H2
InChIKeyJJAIBELTASVPGV-UHFFFAOYSA-N
MW307.37 g/mol
LogP3.92
Rot. Bonds5

About 3-[2-(4-fluorophenyl)pyrimidin-5-yl]-1-phenylpropan-1-amine

3-[2-(4-fluorophenyl)pyrimidin-5-yl]-1-phenylpropan-1-amine (PubChem CID 91132178) has the molecular formula C19H18FN3 and a molecular weight of 307.37 g/mol. Its IUPAC name is 3-[2-(4-fluorophenyl)pyrimidin-5-yl]-1-phenylpropan-1-amine.

Molecular Properties

Compound Name3-[2-(4-fluorophenyl)pyrimidin-5-yl]-1-phenylpropan-1-amine
PubChem CID91132178
Molecular FormulaC19H18FN3
Molecular Weight307.37 g/mol
Exact Mass307.15
IUPAC Name3-[2-(4-fluorophenyl)pyrimidin-5-yl]-1-phenylpropan-1-amine
SMILESNC(CCc1cnc(-c2ccc(F)cc2)nc1)c1ccccc1
InChIInChI=1S/C19H18FN3/c20-17-9-7-16(8-10-17)19-22-12-14(13-23-19)6-11-18(21)15-4-2-1-3-5-15/h1-5,7-10,12-13,18H,6,11,21H2
InChIKeyJJAIBELTASVPGV-UHFFFAOYSA-N
XLogP3.92
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.37
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-fluorophenyl)pyrimidin-5-yl]-1-phenylpropan-1-amine?
The IUPAC name of 3-[2-(4-fluorophenyl)pyrimidin-5-yl]-1-phenylpropan-1-amine (CID 91132178) is 3-[2-(4-fluorophenyl)pyrimidin-5-yl]-1-phenylpropan-1-amine.
What is the SMILES notation for 3-[2-(4-fluorophenyl)pyrimidin-5-yl]-1-phenylpropan-1-amine?
The canonical SMILES for 3-[2-(4-fluorophenyl)pyrimidin-5-yl]-1-phenylpropan-1-amine is NC(CCc1cnc(-c2ccc(F)cc2)nc1)c1ccccc1.
What is the InChIKey of 3-[2-(4-fluorophenyl)pyrimidin-5-yl]-1-phenylpropan-1-amine?
The InChIKey is JJAIBELTASVPGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3/c20-17-9-7-16(8-10-17)19-22-12-14(13-23-19)6-11-18(21)15-4-2-1-3-5-15/h1-5,7-10,12-13,18H,6,11,21H2.
What are the key properties of 3-[2-(4-fluorophenyl)pyrimidin-5-yl]-1-phenylpropan-1-amine?
3-[2-(4-fluorophenyl)pyrimidin-5-yl]-1-phenylpropan-1-amine has a molecular weight of 307.37 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-fluorophenyl)pyrimidin-5-yl]-1-phenylpropan-1-amine is sourced from PubChem (CID 91132178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).