(1S)-1-(2-pyrimidin-5-ylphenyl)ethanamine

C12H13N3 — CID 94457197

IUPAC(1S)-1-(2-pyrimidin-5-ylphenyl)ethanamine
SMILESC[C@H](N)c1ccccc1-c1cncnc1
InChIInChI=1S/C12H13N3/c1-9(13)11-4-2-3-5-12(11)10-6-14-8-15-7-10/h2-9H,13H2,1H3/t9-/m0/s1
InChIKeyIBSONFFJKOLJDZ-VIFPVBQESA-N
MW199.26 g/mol
LogP2.16
Rot. Bonds2

About (1S)-1-(2-pyrimidin-5-ylphenyl)ethanamine

(1S)-1-(2-pyrimidin-5-ylphenyl)ethanamine (PubChem CID 94457197) has the molecular formula C12H13N3 and a molecular weight of 199.26 g/mol. Its IUPAC name is (1S)-1-(2-pyrimidin-5-ylphenyl)ethanamine.

Molecular Properties

Compound Name(1S)-1-(2-pyrimidin-5-ylphenyl)ethanamine
PubChem CID94457197
Molecular FormulaC12H13N3
Molecular Weight199.26 g/mol
Exact Mass199.11
IUPAC Name(1S)-1-(2-pyrimidin-5-ylphenyl)ethanamine
SMILESC[C@H](N)c1ccccc1-c1cncnc1
InChIInChI=1S/C12H13N3/c1-9(13)11-4-2-3-5-12(11)10-6-14-8-15-7-10/h2-9H,13H2,1H3/t9-/m0/s1
InChIKeyIBSONFFJKOLJDZ-VIFPVBQESA-N
XLogP2.16
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.26
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(5-methyl-3-pyridinyl)phenyl]ethanamine
CID 115375072
(1S)-2,2,2-trifluoro-1-(2-pyrimidin-5-ylphenyl)ethanamine
CID 66511571
(2R)-2-amino-2-(2-pyrimidin-5-ylphenyl)ethanol
CID 66514571
(1R)-1-[2-(4-chlorophenyl)phenyl]ethanamine
CID 93460583
boric acid;1-(2-phenylphenyl)ethanamine
CID 175210638
1-[2-(3,5-dichlorophenyl)phenyl]ethanamine
CID 114879147
5-(2-methylphenyl)pyrimidine
CID 4188102
1-[2-(3-methylphenyl)phenyl]ethanamine
CID 61033604
1-[2-[4-(trifluoromethyl)phenyl]phenyl]ethanamine
CID 54911995
1-[2-(4-fluoro-3-methylphenyl)phenyl]ethanamine
CID 54911668
1-[2-(1-methylimidazol-2-yl)phenyl]ethanamine
CID 63976847
1-[2-(2,3,5,6-tetramethylphenyl)phenyl]ethanamine
CID 54910087

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2-pyrimidin-5-ylphenyl)ethanamine?
The IUPAC name of (1S)-1-(2-pyrimidin-5-ylphenyl)ethanamine (CID 94457197) is (1S)-1-(2-pyrimidin-5-ylphenyl)ethanamine.
What is the SMILES notation for (1S)-1-(2-pyrimidin-5-ylphenyl)ethanamine?
The canonical SMILES for (1S)-1-(2-pyrimidin-5-ylphenyl)ethanamine is C[C@H](N)c1ccccc1-c1cncnc1.
What is the InChIKey of (1S)-1-(2-pyrimidin-5-ylphenyl)ethanamine?
The InChIKey is IBSONFFJKOLJDZ-VIFPVBQESA-N. The full InChI is InChI=1S/C12H13N3/c1-9(13)11-4-2-3-5-12(11)10-6-14-8-15-7-10/h2-9H,13H2,1H3/t9-/m0/s1.
What are the key properties of (1S)-1-(2-pyrimidin-5-ylphenyl)ethanamine?
(1S)-1-(2-pyrimidin-5-ylphenyl)ethanamine has a molecular weight of 199.26 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(2-pyrimidin-5-ylphenyl)ethanamine is sourced from PubChem (CID 94457197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).