1-[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]-3-methoxypropan-2-ol

C10H16BrN3O2 — CID 104506894

IUPAC1-[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]-3-methoxypropan-2-ol
SMILESCOCC(O)CNc1ncc(N)c(C)c1Br
InChIInChI=1S/C10H16BrN3O2/c1-6-8(12)4-14-10(9(6)11)13-3-7(15)5-16-2/h4,7,15H,3,5,12H2,1-2H3,(H,13,14)
InChIKeyPWMDBTQFVKAMBQ-UHFFFAOYSA-N
MW290.16 g/mol
LogP1.15
Rot. Bonds5

About 1-[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]-3-methoxypropan-2-ol

1-[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]-3-methoxypropan-2-ol (PubChem CID 104506894) has the molecular formula C10H16BrN3O2 and a molecular weight of 290.16 g/mol. Its IUPAC name is 1-[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]-3-methoxypropan-2-ol.

Molecular Properties

Compound Name1-[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]-3-methoxypropan-2-ol
PubChem CID104506894
Molecular FormulaC10H16BrN3O2
Molecular Weight290.16 g/mol
Exact Mass289.04
IUPAC Name1-[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]-3-methoxypropan-2-ol
SMILESCOCC(O)CNc1ncc(N)c(C)c1Br
InChIInChI=1S/C10H16BrN3O2/c1-6-8(12)4-14-10(9(6)11)13-3-7(15)5-16-2/h4,7,15H,3,5,12H2,1-2H3,(H,13,14)
InChIKeyPWMDBTQFVKAMBQ-UHFFFAOYSA-N
XLogP1.15
TPSA80.40 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.16
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-bromo-2-N-(3-methoxy-2-methylpropyl)-4-methylpyridine-2,5-diamine
CID 104506698
3-[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]-2-hydroxypropanamide
CID 106166830
1-[(5-amino-4-methyl-2-pyridinyl)amino]-3-methoxypropan-2-ol
CID 79176154
3-bromo-2-N-(1-methoxy-3-methylbutan-2-yl)-4-methylpyridine-2,5-diamine
CID 104506932
3-[[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]methyl]pentan-1-ol
CID 104507039
3-bromo-2-N-ethyl-4-methylpyridine-2,5-diamine
CID 104506234
1-[(5-amino-3-bromo-4-methyl-2-pyridinyl)-methylamino]-3-methoxypropan-2-ol
CID 113420435
(2R)-1-[(8-bromopyrido[3,4-b]pyrazin-5-yl)amino]-3-methoxypropan-2-ol
CID 169259557
2-[2-[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]ethoxy]ethanol
CID 104506759
1-[(5-bromo-3-fluoro-2-pyridinyl)amino]-3-methoxypropan-2-ol
CID 104919061
1-[(5-bromo-2-hydrazinylpyrimidin-4-yl)amino]-3-methoxypropan-2-ol
CID 80913402
1-(4-amino-3-methylanilino)-3-methoxypropan-2-ol
CID 23104377

Frequently Asked Questions

What is the IUPAC name of 1-[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]-3-methoxypropan-2-ol?
The IUPAC name of 1-[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]-3-methoxypropan-2-ol (CID 104506894) is 1-[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]-3-methoxypropan-2-ol.
What is the SMILES notation for 1-[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]-3-methoxypropan-2-ol?
The canonical SMILES for 1-[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]-3-methoxypropan-2-ol is COCC(O)CNc1ncc(N)c(C)c1Br.
What is the InChIKey of 1-[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]-3-methoxypropan-2-ol?
The InChIKey is PWMDBTQFVKAMBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrN3O2/c1-6-8(12)4-14-10(9(6)11)13-3-7(15)5-16-2/h4,7,15H,3,5,12H2,1-2H3,(H,13,14).
What are the key properties of 1-[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]-3-methoxypropan-2-ol?
1-[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]-3-methoxypropan-2-ol has a molecular weight of 290.16 g/mol, XLogP of 1.15, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]-3-methoxypropan-2-ol is sourced from PubChem (CID 104506894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).