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

C12H20BrN3O — CID 104507039

IUPAC3-[[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]methyl]pentan-1-ol
SMILESCCC(CCO)CNc1ncc(N)c(C)c1Br
InChIInChI=1S/C12H20BrN3O/c1-3-9(4-5-17)6-15-12-11(13)8(2)10(14)7-16-12/h7,9,17H,3-6,14H2,1-2H3,(H,15,16)
InChIKeyCUVKNULSHCFGDM-UHFFFAOYSA-N
MW302.22 g/mol
LogP2.56
Rot. Bonds6

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

3-[[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]methyl]pentan-1-ol (PubChem CID 104507039) has the molecular formula C12H20BrN3O and a molecular weight of 302.22 g/mol. Its IUPAC name is 3-[[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]methyl]pentan-1-ol.

Molecular Properties

Compound Name3-[[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]methyl]pentan-1-ol
PubChem CID104507039
Molecular FormulaC12H20BrN3O
Molecular Weight302.22 g/mol
Exact Mass301.08
IUPAC Name3-[[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]methyl]pentan-1-ol
SMILESCCC(CCO)CNc1ncc(N)c(C)c1Br
InChIInChI=1S/C12H20BrN3O/c1-3-9(4-5-17)6-15-12-11(13)8(2)10(14)7-16-12/h7,9,17H,3-6,14H2,1-2H3,(H,15,16)
InChIKeyCUVKNULSHCFGDM-UHFFFAOYSA-N
XLogP2.56
TPSA71.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.22
LogP ≤ 52.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-[[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]methyl]pentan-1-ol with MolForge

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Related Compounds

3-[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]-2-hydroxypropanamide
CID 106166830
3-bromo-2-N-ethyl-4-methylpyridine-2,5-diamine
CID 104506234
3-[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]-4,4-dimethylpentan-1-ol
CID 114176742
1-[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]-3-methoxypropan-2-ol
CID 104506894
2-[2-[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]ethoxy]ethanol
CID 104506759
3-bromo-2-N-(3-methoxy-2-methylpropyl)-4-methylpyridine-2,5-diamine
CID 104506698
2-[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]-2-methylbutan-1-ol
CID 104506915
3-[[(5-amino-3-bromo-2-pyridinyl)amino]methyl]hexan-1-ol
CID 106113765
3-[[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]methyl]pentan-1-ol
CID 80852457
1-[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]-2-methyl-3-methylsulfanylpropan-2-ol
CID 106244071
3-bromo-4-methyl-2-N-(2-methylbutan-2-yl)pyridine-2,5-diamine
CID 104506284
3-bromo-4-methyl-2-N-(2-methyl-3-pyrrolidin-1-ylpropyl)pyridine-2,5-diamine
CID 104506810

Frequently Asked Questions

What is the IUPAC name of 3-[[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]methyl]pentan-1-ol?
The IUPAC name of 3-[[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]methyl]pentan-1-ol (CID 104507039) is 3-[[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]methyl]pentan-1-ol.
What is the SMILES notation for 3-[[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]methyl]pentan-1-ol?
The canonical SMILES for 3-[[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]methyl]pentan-1-ol is CCC(CCO)CNc1ncc(N)c(C)c1Br.
What is the InChIKey of 3-[[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]methyl]pentan-1-ol?
The InChIKey is CUVKNULSHCFGDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20BrN3O/c1-3-9(4-5-17)6-15-12-11(13)8(2)10(14)7-16-12/h7,9,17H,3-6,14H2,1-2H3,(H,15,16).
What are the key properties of 3-[[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]methyl]pentan-1-ol?
3-[[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]methyl]pentan-1-ol has a molecular weight of 302.22 g/mol, XLogP of 2.56, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]methyl]pentan-1-ol is sourced from PubChem (CID 104507039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).