(2R)-1-[(8-bromopyrido[3,4-b]pyrazin-5-yl)amino]-3-methoxypropan-2-ol

C11H13BrN4O2 — CID 169259557

IUPAC(2R)-1-[(8-bromopyrido[3,4-b]pyrazin-5-yl)amino]-3-methoxypropan-2-ol
SMILESCOC[C@H](O)CNc1ncc(Br)c2nccnc12
InChIInChI=1S/C11H13BrN4O2/c1-18-6-7(17)4-15-11-10-9(8(12)5-16-11)13-2-3-14-10/h2-3,5,7,17H,4,6H2,1H3,(H,15,16)/t7-/m1/s1
InChIKeyXERJFFHXLQLQRH-SSDOTTSWSA-N
MW313.16 g/mol
LogP1.21
Rot. Bonds5

About (2R)-1-[(8-bromopyrido[3,4-b]pyrazin-5-yl)amino]-3-methoxypropan-2-ol

(2R)-1-[(8-bromopyrido[3,4-b]pyrazin-5-yl)amino]-3-methoxypropan-2-ol (PubChem CID 169259557) has the molecular formula C11H13BrN4O2 and a molecular weight of 313.16 g/mol. Its IUPAC name is (2R)-1-[(8-bromopyrido[3,4-b]pyrazin-5-yl)amino]-3-methoxypropan-2-ol.

Molecular Properties

Compound Name(2R)-1-[(8-bromopyrido[3,4-b]pyrazin-5-yl)amino]-3-methoxypropan-2-ol
PubChem CID169259557
Molecular FormulaC11H13BrN4O2
Molecular Weight313.16 g/mol
Exact Mass312.02
IUPAC Name(2R)-1-[(8-bromopyrido[3,4-b]pyrazin-5-yl)amino]-3-methoxypropan-2-ol
SMILESCOC[C@H](O)CNc1ncc(Br)c2nccnc12
InChIInChI=1S/C11H13BrN4O2/c1-18-6-7(17)4-15-11-10-9(8(12)5-16-11)13-2-3-14-10/h2-3,5,7,17H,4,6H2,1H3,(H,15,16)/t7-/m1/s1
InChIKeyXERJFFHXLQLQRH-SSDOTTSWSA-N
XLogP1.21
TPSA80.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.16
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2R)-1-[(8-bromopyrido[3,4-b]pyrazin-5-yl)amino]-3-methoxypropan-2-ol with MolForge

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Related Compounds

1-[(5-bromo-2-hydrazinylpyrimidin-4-yl)amino]-3-methoxypropan-2-ol
CID 80913402
1-[(5-bromo-3-fluoro-2-pyridinyl)amino]-3-methoxypropan-2-ol
CID 104919061
1-[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]-3-methoxypropan-2-ol
CID 104506894
(2R)-1-[(3-bromothieno[2,3-c]pyridin-7-yl)amino]-3-methoxypropan-2-ol
CID 126829718
(2S)-1-[(8-bromoquinolin-2-yl)amino]-3-methoxypropan-2-ol
CID 97062756
4-[(2-amino-5-bromopyrimidin-4-yl)amino]-1-methoxybutan-2-ol
CID 106248797
1-[(5-amino-4-methyl-2-pyridinyl)amino]-3-methoxypropan-2-ol
CID 79176154
3-chloro-2-[(2-hydroxy-3-methoxypropyl)amino]pyridine-4-carbonitrile
CID 107057828
1-[(5-tert-butyl-2-pyridinyl)amino]-3-methoxypropan-2-ol
CID 107874714
6-[(2-hydroxy-3-methoxypropyl)amino]-5-nitropyridine-3-carboxylic acid
CID 81438118
1-[(2-chloro-7H-purin-6-yl)amino]-3-methoxypropan-2-ol
CID 104697715
5-amino-4-[(2-hydroxy-3-methoxypropyl)amino]-1H-pyrimidin-6-one
CID 136975883

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(8-bromopyrido[3,4-b]pyrazin-5-yl)amino]-3-methoxypropan-2-ol?
The IUPAC name of (2R)-1-[(8-bromopyrido[3,4-b]pyrazin-5-yl)amino]-3-methoxypropan-2-ol (CID 169259557) is (2R)-1-[(8-bromopyrido[3,4-b]pyrazin-5-yl)amino]-3-methoxypropan-2-ol.
What is the SMILES notation for (2R)-1-[(8-bromopyrido[3,4-b]pyrazin-5-yl)amino]-3-methoxypropan-2-ol?
The canonical SMILES for (2R)-1-[(8-bromopyrido[3,4-b]pyrazin-5-yl)amino]-3-methoxypropan-2-ol is COC[C@H](O)CNc1ncc(Br)c2nccnc12.
What is the InChIKey of (2R)-1-[(8-bromopyrido[3,4-b]pyrazin-5-yl)amino]-3-methoxypropan-2-ol?
The InChIKey is XERJFFHXLQLQRH-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H13BrN4O2/c1-18-6-7(17)4-15-11-10-9(8(12)5-16-11)13-2-3-14-10/h2-3,5,7,17H,4,6H2,1H3,(H,15,16)/t7-/m1/s1.
What are the key properties of (2R)-1-[(8-bromopyrido[3,4-b]pyrazin-5-yl)amino]-3-methoxypropan-2-ol?
(2R)-1-[(8-bromopyrido[3,4-b]pyrazin-5-yl)amino]-3-methoxypropan-2-ol has a molecular weight of 313.16 g/mol, XLogP of 1.21, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(8-bromopyrido[3,4-b]pyrazin-5-yl)amino]-3-methoxypropan-2-ol is sourced from PubChem (CID 169259557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).