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

C11H18BrN3OS — CID 106244071

IUPAC1-[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]-2-methyl-3-methylsulfanylpropan-2-ol
SMILESCSCC(C)(O)CNc1ncc(N)c(C)c1Br
InChIInChI=1S/C11H18BrN3OS/c1-7-8(13)4-14-10(9(7)12)15-5-11(2,16)6-17-3/h4,16H,5-6,13H2,1-3H3,(H,14,15)
InChIKeyUTJNMRPLVUWGED-UHFFFAOYSA-N
MW320.26 g/mol
LogP2.26
Rot. Bonds5

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

1-[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]-2-methyl-3-methylsulfanylpropan-2-ol (PubChem CID 106244071) has the molecular formula C11H18BrN3OS and a molecular weight of 320.26 g/mol. Its IUPAC name is 1-[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]-2-methyl-3-methylsulfanylpropan-2-ol.

Molecular Properties

Compound Name1-[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]-2-methyl-3-methylsulfanylpropan-2-ol
PubChem CID106244071
Molecular FormulaC11H18BrN3OS
Molecular Weight320.26 g/mol
Exact Mass319.04
IUPAC Name1-[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]-2-methyl-3-methylsulfanylpropan-2-ol
SMILESCSCC(C)(O)CNc1ncc(N)c(C)c1Br
InChIInChI=1S/C11H18BrN3OS/c1-7-8(13)4-14-10(9(7)12)15-5-11(2,16)6-17-3/h4,16H,5-6,13H2,1-3H3,(H,14,15)
InChIKeyUTJNMRPLVUWGED-UHFFFAOYSA-N
XLogP2.26
TPSA71.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.26
LogP ≤ 52.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(5-amino-4-methyl-2-pyridinyl)amino]-2-methyl-3-methylsulfanylpropan-2-ol
CID 106243671
3-bromo-2-N-ethyl-4-methylpyridine-2,5-diamine
CID 104506234
3-bromo-4-methyl-2-N-(3,3,3-trifluoropropyl)pyridine-2,5-diamine
CID 104506832
2-[2-[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]ethoxy]ethanol
CID 104506759
3-bromo-4-methyl-2-N-(2-methylbutan-2-yl)pyridine-2,5-diamine
CID 104506284
3-[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]-4,4-dimethylpentan-1-ol
CID 114176742
3-[[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]methyl]pentan-1-ol
CID 104507039
4-[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]butanamide
CID 104506470
2-[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]-2-methylbutan-1-ol
CID 104506915
3-bromo-2-N-[(4-bromophenyl)methyl]-4-methylpyridine-2,5-diamine
CID 113420383
3-[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]-2-hydroxypropanamide
CID 106166830
1-[(5-chloropyrimidin-4-yl)amino]-2-methyl-3-methylsulfanylpropan-2-ol
CID 75511398

Frequently Asked Questions

What is the IUPAC name of 1-[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]-2-methyl-3-methylsulfanylpropan-2-ol?
The IUPAC name of 1-[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]-2-methyl-3-methylsulfanylpropan-2-ol (CID 106244071) is 1-[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]-2-methyl-3-methylsulfanylpropan-2-ol.
What is the SMILES notation for 1-[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]-2-methyl-3-methylsulfanylpropan-2-ol?
The canonical SMILES for 1-[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]-2-methyl-3-methylsulfanylpropan-2-ol is CSCC(C)(O)CNc1ncc(N)c(C)c1Br.
What is the InChIKey of 1-[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]-2-methyl-3-methylsulfanylpropan-2-ol?
The InChIKey is UTJNMRPLVUWGED-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrN3OS/c1-7-8(13)4-14-10(9(7)12)15-5-11(2,16)6-17-3/h4,16H,5-6,13H2,1-3H3,(H,14,15).
What are the key properties of 1-[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]-2-methyl-3-methylsulfanylpropan-2-ol?
1-[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]-2-methyl-3-methylsulfanylpropan-2-ol has a molecular weight of 320.26 g/mol, XLogP of 2.26, 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]-2-methyl-3-methylsulfanylpropan-2-ol is sourced from PubChem (CID 106244071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).