1-[2-(5-fluoro-2-methylphenyl)-4-methylpyrimidin-5-yl]ethanamine

C14H16FN3 — CID 55112626

IUPAC1-[2-(5-fluoro-2-methylphenyl)-4-methylpyrimidin-5-yl]ethanamine
SMILESCc1ccc(F)cc1-c1ncc(C(C)N)c(C)n1
InChIInChI=1S/C14H16FN3/c1-8-4-5-11(15)6-12(8)14-17-7-13(9(2)16)10(3)18-14/h4-7,9H,16H2,1-3H3
InChIKeyGCNVQHSRMYTLSV-UHFFFAOYSA-N
MW245.30 g/mol
LogP2.92
Rot. Bonds2

About 1-[2-(5-fluoro-2-methylphenyl)-4-methylpyrimidin-5-yl]ethanamine

1-[2-(5-fluoro-2-methylphenyl)-4-methylpyrimidin-5-yl]ethanamine (PubChem CID 55112626) has the molecular formula C14H16FN3 and a molecular weight of 245.30 g/mol. Its IUPAC name is 1-[2-(5-fluoro-2-methylphenyl)-4-methylpyrimidin-5-yl]ethanamine.

Molecular Properties

Compound Name1-[2-(5-fluoro-2-methylphenyl)-4-methylpyrimidin-5-yl]ethanamine
PubChem CID55112626
Molecular FormulaC14H16FN3
Molecular Weight245.30 g/mol
Exact Mass245.13
IUPAC Name1-[2-(5-fluoro-2-methylphenyl)-4-methylpyrimidin-5-yl]ethanamine
SMILESCc1ccc(F)cc1-c1ncc(C(C)N)c(C)n1
InChIInChI=1S/C14H16FN3/c1-8-4-5-11(15)6-12(8)14-17-7-13(9(2)16)10(3)18-14/h4-7,9H,16H2,1-3H3
InChIKeyGCNVQHSRMYTLSV-UHFFFAOYSA-N
XLogP2.92
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-fluoro-2-methylphenyl)-4-methylpyrimidin-5-yl]ethanamine?
The IUPAC name of 1-[2-(5-fluoro-2-methylphenyl)-4-methylpyrimidin-5-yl]ethanamine (CID 55112626) is 1-[2-(5-fluoro-2-methylphenyl)-4-methylpyrimidin-5-yl]ethanamine.
What is the SMILES notation for 1-[2-(5-fluoro-2-methylphenyl)-4-methylpyrimidin-5-yl]ethanamine?
The canonical SMILES for 1-[2-(5-fluoro-2-methylphenyl)-4-methylpyrimidin-5-yl]ethanamine is Cc1ccc(F)cc1-c1ncc(C(C)N)c(C)n1.
What is the InChIKey of 1-[2-(5-fluoro-2-methylphenyl)-4-methylpyrimidin-5-yl]ethanamine?
The InChIKey is GCNVQHSRMYTLSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3/c1-8-4-5-11(15)6-12(8)14-17-7-13(9(2)16)10(3)18-14/h4-7,9H,16H2,1-3H3.
What are the key properties of 1-[2-(5-fluoro-2-methylphenyl)-4-methylpyrimidin-5-yl]ethanamine?
1-[2-(5-fluoro-2-methylphenyl)-4-methylpyrimidin-5-yl]ethanamine has a molecular weight of 245.30 g/mol, XLogP of 2.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-fluoro-2-methylphenyl)-4-methylpyrimidin-5-yl]ethanamine is sourced from PubChem (CID 55112626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).