(1S)-1-phenyl-N-(pyrimidin-5-ylmethyl)ethanamine

C13H15N3 — CID 78950279

IUPAC(1S)-1-phenyl-N-(pyrimidin-5-ylmethyl)ethanamine
SMILESC[C@H](NCc1cncnc1)c1ccccc1
InChIInChI=1S/C13H15N3/c1-11(13-5-3-2-4-6-13)16-9-12-7-14-10-15-8-12/h2-8,10-11,16H,9H2,1H3/t11-/m0/s1
InChIKeyXAWCWZDVBYHLHW-NSHDSACASA-N
MW213.28 g/mol
LogP2.33
Rot. Bonds4

About (1S)-1-phenyl-N-(pyrimidin-5-ylmethyl)ethanamine

(1S)-1-phenyl-N-(pyrimidin-5-ylmethyl)ethanamine (PubChem CID 78950279) has the molecular formula C13H15N3 and a molecular weight of 213.28 g/mol. Its IUPAC name is (1S)-1-phenyl-N-(pyrimidin-5-ylmethyl)ethanamine.

Molecular Properties

Compound Name(1S)-1-phenyl-N-(pyrimidin-5-ylmethyl)ethanamine
PubChem CID78950279
Molecular FormulaC13H15N3
Molecular Weight213.28 g/mol
Exact Mass213.13
IUPAC Name(1S)-1-phenyl-N-(pyrimidin-5-ylmethyl)ethanamine
SMILESC[C@H](NCc1cncnc1)c1ccccc1
InChIInChI=1S/C13H15N3/c1-11(13-5-3-2-4-6-13)16-9-12-7-14-10-15-8-12/h2-8,10-11,16H,9H2,1H3/t11-/m0/s1
InChIKeyXAWCWZDVBYHLHW-NSHDSACASA-N
XLogP2.33
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-pyridin-4-yl-N-(pyrimidin-5-ylmethyl)ethanamine
CID 62759133
1-(3-bromophenyl)-N-(pyrimidin-5-ylmethyl)ethanamine
CID 62758584
1-phenyl-N-(pyrimidin-5-ylmethyl)propan-1-amine
CID 62759378
4-[1-(pyrimidin-5-ylmethylamino)ethyl]benzonitrile
CID 62758592
(1S)-N-benzyl-1-phenylethanamine;sulfane
CID 157387061
1-phenyl-N-(pyridin-4-ylmethyl)ethanamine;dihydrochloride
CID 45156207
(1R)-1-pyridin-2-yl-N-(pyrimidin-5-ylmethyl)ethanamine
CID 81402120
N-[(2-ethylsulfanylpyrimidin-5-yl)methyl]-1-phenylethanamine
CID 102536040
3,3-dimethyl-1-phenyl-N-(pyrimidin-5-ylmethyl)butan-1-amine
CID 62758422
1-naphthalen-1-yl-N-(pyrimidin-5-ylmethyl)ethanamine
CID 62759136
N-ethyl-5-[(1-phenylethylamino)methyl]pyrimidin-2-amine
CID 102536236
3-phenyl-N-(pyrimidin-5-ylmethyl)butan-1-amine
CID 55152744

Frequently Asked Questions

What is the IUPAC name of (1S)-1-phenyl-N-(pyrimidin-5-ylmethyl)ethanamine?
The IUPAC name of (1S)-1-phenyl-N-(pyrimidin-5-ylmethyl)ethanamine (CID 78950279) is (1S)-1-phenyl-N-(pyrimidin-5-ylmethyl)ethanamine.
What is the SMILES notation for (1S)-1-phenyl-N-(pyrimidin-5-ylmethyl)ethanamine?
The canonical SMILES for (1S)-1-phenyl-N-(pyrimidin-5-ylmethyl)ethanamine is C[C@H](NCc1cncnc1)c1ccccc1.
What is the InChIKey of (1S)-1-phenyl-N-(pyrimidin-5-ylmethyl)ethanamine?
The InChIKey is XAWCWZDVBYHLHW-NSHDSACASA-N. The full InChI is InChI=1S/C13H15N3/c1-11(13-5-3-2-4-6-13)16-9-12-7-14-10-15-8-12/h2-8,10-11,16H,9H2,1H3/t11-/m0/s1.
What are the key properties of (1S)-1-phenyl-N-(pyrimidin-5-ylmethyl)ethanamine?
(1S)-1-phenyl-N-(pyrimidin-5-ylmethyl)ethanamine has a molecular weight of 213.28 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-phenyl-N-(pyrimidin-5-ylmethyl)ethanamine is sourced from PubChem (CID 78950279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).