2-[3-fluoro-2-(2-naphthalen-1-ylethyl)phenyl]-1,4,5,6-tetrahydropyrimidine

C22H21FN2 — CID 22744699

IUPAC2-[3-fluoro-2-(2-naphthalen-1-ylethyl)phenyl]-1,4,5,6-tetrahydropyrimidine
SMILESFc1cccc(C2=NCCCN2)c1CCc1cccc2ccccc12
InChIInChI=1S/C22H21FN2/c23-21-11-4-10-20(22-24-14-5-15-25-22)19(21)13-12-17-8-3-7-16-6-1-2-9-18(16)17/h1-4,6-11H,5,12-15H2,(H,24,25)
InChIKeyVQPNUOOVVQVJAQ-UHFFFAOYSA-N
MW332.42 g/mol
LogP4.50
Rot. Bonds4

About 2-[3-fluoro-2-(2-naphthalen-1-ylethyl)phenyl]-1,4,5,6-tetrahydropyrimidine

2-[3-fluoro-2-(2-naphthalen-1-ylethyl)phenyl]-1,4,5,6-tetrahydropyrimidine (PubChem CID 22744699) has the molecular formula C22H21FN2 and a molecular weight of 332.42 g/mol. Its IUPAC name is 2-[3-fluoro-2-(2-naphthalen-1-ylethyl)phenyl]-1,4,5,6-tetrahydropyrimidine.

Molecular Properties

Compound Name2-[3-fluoro-2-(2-naphthalen-1-ylethyl)phenyl]-1,4,5,6-tetrahydropyrimidine
PubChem CID22744699
Molecular FormulaC22H21FN2
Molecular Weight332.42 g/mol
Exact Mass332.17
IUPAC Name2-[3-fluoro-2-(2-naphthalen-1-ylethyl)phenyl]-1,4,5,6-tetrahydropyrimidine
SMILESFc1cccc(C2=NCCCN2)c1CCc1cccc2ccccc12
InChIInChI=1S/C22H21FN2/c23-21-11-4-10-20(22-24-14-5-15-25-22)19(21)13-12-17-8-3-7-16-6-1-2-9-18(16)17/h1-4,6-11H,5,12-15H2,(H,24,25)
InChIKeyVQPNUOOVVQVJAQ-UHFFFAOYSA-N
XLogP4.50
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.42
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[3-fluoro-2-(2-naphthalen-1-ylethyl)phenyl]-1,4,5,6-tetrahydropyrimidine?
The IUPAC name of 2-[3-fluoro-2-(2-naphthalen-1-ylethyl)phenyl]-1,4,5,6-tetrahydropyrimidine (CID 22744699) is 2-[3-fluoro-2-(2-naphthalen-1-ylethyl)phenyl]-1,4,5,6-tetrahydropyrimidine.
What is the SMILES notation for 2-[3-fluoro-2-(2-naphthalen-1-ylethyl)phenyl]-1,4,5,6-tetrahydropyrimidine?
The canonical SMILES for 2-[3-fluoro-2-(2-naphthalen-1-ylethyl)phenyl]-1,4,5,6-tetrahydropyrimidine is Fc1cccc(C2=NCCCN2)c1CCc1cccc2ccccc12.
What is the InChIKey of 2-[3-fluoro-2-(2-naphthalen-1-ylethyl)phenyl]-1,4,5,6-tetrahydropyrimidine?
The InChIKey is VQPNUOOVVQVJAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN2/c23-21-11-4-10-20(22-24-14-5-15-25-22)19(21)13-12-17-8-3-7-16-6-1-2-9-18(16)17/h1-4,6-11H,5,12-15H2,(H,24,25).
What are the key properties of 2-[3-fluoro-2-(2-naphthalen-1-ylethyl)phenyl]-1,4,5,6-tetrahydropyrimidine?
2-[3-fluoro-2-(2-naphthalen-1-ylethyl)phenyl]-1,4,5,6-tetrahydropyrimidine has a molecular weight of 332.42 g/mol, XLogP of 4.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-fluoro-2-(2-naphthalen-1-ylethyl)phenyl]-1,4,5,6-tetrahydropyrimidine is sourced from PubChem (CID 22744699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).