5-[(4S)-4-aminopent-1-ynyl]-3-bromopyridin-2-amine

C10H12BrN3 — CID 178024170

IUPAC5-[(4S)-4-aminopent-1-ynyl]-3-bromopyridin-2-amine
SMILESC[C@H](N)CC#Cc1cnc(N)c(Br)c1
InChIInChI=1S/C10H12BrN3/c1-7(12)3-2-4-8-5-9(11)10(13)14-6-8/h5-7H,3,12H2,1H3,(H2,13,14)/t7-/m0/s1
InChIKeyINCJFJULORAAMC-ZETCQYMHSA-N
MW254.13 g/mol
LogP1.52
Rot. Bonds1

About 5-[(4S)-4-aminopent-1-ynyl]-3-bromopyridin-2-amine

5-[(4S)-4-aminopent-1-ynyl]-3-bromopyridin-2-amine (PubChem CID 178024170) has the molecular formula C10H12BrN3 and a molecular weight of 254.13 g/mol. Its IUPAC name is 5-[(4S)-4-aminopent-1-ynyl]-3-bromopyridin-2-amine.

Molecular Properties

Compound Name5-[(4S)-4-aminopent-1-ynyl]-3-bromopyridin-2-amine
PubChem CID178024170
Molecular FormulaC10H12BrN3
Molecular Weight254.13 g/mol
Exact Mass253.02
IUPAC Name5-[(4S)-4-aminopent-1-ynyl]-3-bromopyridin-2-amine
SMILESC[C@H](N)CC#Cc1cnc(N)c(Br)c1
InChIInChI=1S/C10H12BrN3/c1-7(12)3-2-4-8-5-9(11)10(13)14-6-8/h5-7H,3,12H2,1H3,(H2,13,14)/t7-/m0/s1
InChIKeyINCJFJULORAAMC-ZETCQYMHSA-N
XLogP1.52
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.13
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

5-(4-aminobut-1-ynyl)-3-bromopyridin-2-amine;dihydrochloride
CID 178024073
5-[(1R)-1-aminoethyl]-3-bromopyridin-2-amine
CID 130766270
5-(4-methylpent-1-ynyl)pyrimidin-2-amine
CID 171507275
(1S)-1-[3-bromo-5-(3-methylbut-1-ynyl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethanamine
CID 151118445
[2-amino-5-(3-sulfanylprop-1-ynyl)-3-pyridinyl]methanol
CID 169486518
3-bromo-5-ethoxypyridin-2-amine
CID 146405425
4-(6-amino-5-methyl-3-pyridinyl)but-3-ynamide
CID 170472675
(6-amino-5-bromo-3-pyridinyl)methanol
CID 67263286
3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]prop-2-yn-1-ol
CID 169485449
(2S)-5-(4-chloro-5-fluoro-3-pyridinyl)pent-4-yn-2-amine
CID 178023999
5-[4-(methylamino)but-1-ynyl]-3-(trifluoromethyl)pyridin-2-amine
CID 170464899
(3S)-3-amino-3-(2-amino-5-bromo-3-pyridinyl)propan-1-ol
CID 130664394

Frequently Asked Questions

What is the IUPAC name of 5-[(4S)-4-aminopent-1-ynyl]-3-bromopyridin-2-amine?
The IUPAC name of 5-[(4S)-4-aminopent-1-ynyl]-3-bromopyridin-2-amine (CID 178024170) is 5-[(4S)-4-aminopent-1-ynyl]-3-bromopyridin-2-amine.
What is the SMILES notation for 5-[(4S)-4-aminopent-1-ynyl]-3-bromopyridin-2-amine?
The canonical SMILES for 5-[(4S)-4-aminopent-1-ynyl]-3-bromopyridin-2-amine is C[C@H](N)CC#Cc1cnc(N)c(Br)c1.
What is the InChIKey of 5-[(4S)-4-aminopent-1-ynyl]-3-bromopyridin-2-amine?
The InChIKey is INCJFJULORAAMC-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H12BrN3/c1-7(12)3-2-4-8-5-9(11)10(13)14-6-8/h5-7H,3,12H2,1H3,(H2,13,14)/t7-/m0/s1.
What are the key properties of 5-[(4S)-4-aminopent-1-ynyl]-3-bromopyridin-2-amine?
5-[(4S)-4-aminopent-1-ynyl]-3-bromopyridin-2-amine has a molecular weight of 254.13 g/mol, XLogP of 1.52, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4S)-4-aminopent-1-ynyl]-3-bromopyridin-2-amine is sourced from PubChem (CID 178024170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).