N-[(5S)-5-(2-aminoethyl)-4,5-dihydro-1H-imidazol-2-yl]-6-methylpyridin-2-amine;hydrobromide

C11H18BrN5 — CID 53323541

IUPACN-[(5S)-5-(2-aminoethyl)-4,5-dihydro-1H-imidazol-2-yl]-6-methylpyridin-2-amine;hydrobromide
SMILESBr.Cc1cccc(NC2=NC[C@H](CCN)N2)n1
InChIInChI=1S/C11H17N5.BrH/c1-8-3-2-4-10(14-8)16-11-13-7-9(15-11)5-6-12;/h2-4,9H,5-7,12H2,1H3,(H2,13,14,15,16);1H/t9-;/m0./s1
InChIKeyYJBPPHDQCKBJBA-FVGYRXGTSA-N
MW300.20 g/mol
LogP1.06
Rot. Bonds3

About N-[(5S)-5-(2-aminoethyl)-4,5-dihydro-1H-imidazol-2-yl]-6-methylpyridin-2-amine;hydrobromide

N-[(5S)-5-(2-aminoethyl)-4,5-dihydro-1H-imidazol-2-yl]-6-methylpyridin-2-amine;hydrobromide (PubChem CID 53323541) has the molecular formula C11H18BrN5 and a molecular weight of 300.20 g/mol. Its IUPAC name is N-[(5S)-5-(2-aminoethyl)-4,5-dihydro-1H-imidazol-2-yl]-6-methylpyridin-2-amine;hydrobromide.

Molecular Properties

Compound NameN-[(5S)-5-(2-aminoethyl)-4,5-dihydro-1H-imidazol-2-yl]-6-methylpyridin-2-amine;hydrobromide
PubChem CID53323541
Molecular FormulaC11H18BrN5
Molecular Weight300.20 g/mol
Exact Mass299.07
IUPAC NameN-[(5S)-5-(2-aminoethyl)-4,5-dihydro-1H-imidazol-2-yl]-6-methylpyridin-2-amine;hydrobromide
SMILESBr.Cc1cccc(NC2=NC[C@H](CCN)N2)n1
InChIInChI=1S/C11H17N5.BrH/c1-8-3-2-4-10(14-8)16-11-13-7-9(15-11)5-6-12;/h2-4,9H,5-7,12H2,1H3,(H2,13,14,15,16);1H/t9-;/m0./s1
InChIKeyYJBPPHDQCKBJBA-FVGYRXGTSA-N
XLogP1.06
TPSA75.33 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.20
LogP ≤ 51.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(5S)-5-(2-aminoethyl)-4,5-dihydro-1H-imidazol-2-yl]-6-methylpyridin-2-amine;hydrobromide?
The IUPAC name of N-[(5S)-5-(2-aminoethyl)-4,5-dihydro-1H-imidazol-2-yl]-6-methylpyridin-2-amine;hydrobromide (CID 53323541) is N-[(5S)-5-(2-aminoethyl)-4,5-dihydro-1H-imidazol-2-yl]-6-methylpyridin-2-amine;hydrobromide.
What is the SMILES notation for N-[(5S)-5-(2-aminoethyl)-4,5-dihydro-1H-imidazol-2-yl]-6-methylpyridin-2-amine;hydrobromide?
The canonical SMILES for N-[(5S)-5-(2-aminoethyl)-4,5-dihydro-1H-imidazol-2-yl]-6-methylpyridin-2-amine;hydrobromide is Br.Cc1cccc(NC2=NC[C@H](CCN)N2)n1.
What is the InChIKey of N-[(5S)-5-(2-aminoethyl)-4,5-dihydro-1H-imidazol-2-yl]-6-methylpyridin-2-amine;hydrobromide?
The InChIKey is YJBPPHDQCKBJBA-FVGYRXGTSA-N. The full InChI is InChI=1S/C11H17N5.BrH/c1-8-3-2-4-10(14-8)16-11-13-7-9(15-11)5-6-12;/h2-4,9H,5-7,12H2,1H3,(H2,13,14,15,16);1H/t9-;/m0./s1.
What are the key properties of N-[(5S)-5-(2-aminoethyl)-4,5-dihydro-1H-imidazol-2-yl]-6-methylpyridin-2-amine;hydrobromide?
N-[(5S)-5-(2-aminoethyl)-4,5-dihydro-1H-imidazol-2-yl]-6-methylpyridin-2-amine;hydrobromide has a molecular weight of 300.20 g/mol, XLogP of 1.06, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5S)-5-(2-aminoethyl)-4,5-dihydro-1H-imidazol-2-yl]-6-methylpyridin-2-amine;hydrobromide is sourced from PubChem (CID 53323541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).