(1R)-1-(4-bromophenyl)-N-(pyrimidin-2-ylmethyl)ethanamine

C13H14BrN3 — CID 81359642

IUPAC(1R)-1-(4-bromophenyl)-N-(pyrimidin-2-ylmethyl)ethanamine
SMILESC[C@@H](NCc1ncccn1)c1ccc(Br)cc1
InChIInChI=1S/C13H14BrN3/c1-10(11-3-5-12(14)6-4-11)17-9-13-15-7-2-8-16-13/h2-8,10,17H,9H2,1H3/t10-/m1/s1
InChIKeyHGQNPCAAPYZTOU-SNVBAGLBSA-N
MW292.18 g/mol
LogP3.09
Rot. Bonds4

About (1R)-1-(4-bromophenyl)-N-(pyrimidin-2-ylmethyl)ethanamine

(1R)-1-(4-bromophenyl)-N-(pyrimidin-2-ylmethyl)ethanamine (PubChem CID 81359642) has the molecular formula C13H14BrN3 and a molecular weight of 292.18 g/mol. Its IUPAC name is (1R)-1-(4-bromophenyl)-N-(pyrimidin-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name(1R)-1-(4-bromophenyl)-N-(pyrimidin-2-ylmethyl)ethanamine
PubChem CID81359642
Molecular FormulaC13H14BrN3
Molecular Weight292.18 g/mol
Exact Mass291.04
IUPAC Name(1R)-1-(4-bromophenyl)-N-(pyrimidin-2-ylmethyl)ethanamine
SMILESC[C@@H](NCc1ncccn1)c1ccc(Br)cc1
InChIInChI=1S/C13H14BrN3/c1-10(11-3-5-12(14)6-4-11)17-9-13-15-7-2-8-16-13/h2-8,10,17H,9H2,1H3/t10-/m1/s1
InChIKeyHGQNPCAAPYZTOU-SNVBAGLBSA-N
XLogP3.09
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.18
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromophenyl)-N-(pyridin-2-ylmethyl)ethanamine
CID 43178958
(1S)-1-(4-chlorophenyl)-N-(pyrimidin-2-ylmethyl)ethanamine
CID 81354039
(1S)-1-(4-bromophenyl)-N-(quinolin-6-ylmethyl)ethanamine
CID 81356181
(1S)-1-(4-bromophenyl)-N-[(3-chloro-4-pyridinyl)methyl]ethanamine
CID 81359257
(1S)-1-(4-bromophenyl)-N-[(2,6-dichlorophenyl)methyl]ethanamine
CID 81355291
(1R)-1-(4-bromophenyl)-N-(naphthalen-1-ylmethyl)ethanamine
CID 81357004
(1R)-1-pyridin-2-yl-N-(pyrimidin-2-ylmethyl)ethanamine
CID 81407076
(1S)-N-[(4-bromophenyl)methyl]-1-phenylethanamine
CID 966918
(1S)-1-(4-bromophenyl)-N-[(2,4,5-trimethylphenyl)methyl]ethanamine
CID 81360176
(1R)-1-(4-bromophenyl)-N-(1,3-thiazol-4-ylmethyl)ethanamine
CID 78921782
(1S)-1-(4-bromophenyl)-N-[(2,3-dichlorophenyl)methyl]ethanamine
CID 81354018
(1S)-N-[(4-bromophenyl)methyl]-1-phenylethanamine;hydrochloride
CID 172883048

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-bromophenyl)-N-(pyrimidin-2-ylmethyl)ethanamine?
The IUPAC name of (1R)-1-(4-bromophenyl)-N-(pyrimidin-2-ylmethyl)ethanamine (CID 81359642) is (1R)-1-(4-bromophenyl)-N-(pyrimidin-2-ylmethyl)ethanamine.
What is the SMILES notation for (1R)-1-(4-bromophenyl)-N-(pyrimidin-2-ylmethyl)ethanamine?
The canonical SMILES for (1R)-1-(4-bromophenyl)-N-(pyrimidin-2-ylmethyl)ethanamine is C[C@@H](NCc1ncccn1)c1ccc(Br)cc1.
What is the InChIKey of (1R)-1-(4-bromophenyl)-N-(pyrimidin-2-ylmethyl)ethanamine?
The InChIKey is HGQNPCAAPYZTOU-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H14BrN3/c1-10(11-3-5-12(14)6-4-11)17-9-13-15-7-2-8-16-13/h2-8,10,17H,9H2,1H3/t10-/m1/s1.
What are the key properties of (1R)-1-(4-bromophenyl)-N-(pyrimidin-2-ylmethyl)ethanamine?
(1R)-1-(4-bromophenyl)-N-(pyrimidin-2-ylmethyl)ethanamine has a molecular weight of 292.18 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(4-bromophenyl)-N-(pyrimidin-2-ylmethyl)ethanamine is sourced from PubChem (CID 81359642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).