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

C12H19BrN2O — CID 106350476

IUPAC3-[(5-bromo-3-methyl-2-pyridinyl)amino]-4-methylpentan-1-ol
SMILESCc1cc(Br)cnc1NC(CCO)C(C)C
InChIInChI=1S/C12H19BrN2O/c1-8(2)11(4-5-16)15-12-9(3)6-10(13)7-14-12/h6-8,11,16H,4-5H2,1-3H3,(H,14,15)
InChIKeyWXOYRXWOXJHMEX-UHFFFAOYSA-N
MW287.20 g/mol
LogP2.97
Rot. Bonds5

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

3-[(5-bromo-3-methyl-2-pyridinyl)amino]-4-methylpentan-1-ol (PubChem CID 106350476) has the molecular formula C12H19BrN2O and a molecular weight of 287.20 g/mol. Its IUPAC name is 3-[(5-bromo-3-methyl-2-pyridinyl)amino]-4-methylpentan-1-ol.

Molecular Properties

Compound Name3-[(5-bromo-3-methyl-2-pyridinyl)amino]-4-methylpentan-1-ol
PubChem CID106350476
Molecular FormulaC12H19BrN2O
Molecular Weight287.20 g/mol
Exact Mass286.07
IUPAC Name3-[(5-bromo-3-methyl-2-pyridinyl)amino]-4-methylpentan-1-ol
SMILESCc1cc(Br)cnc1NC(CCO)C(C)C
InChIInChI=1S/C12H19BrN2O/c1-8(2)11(4-5-16)15-12-9(3)6-10(13)7-14-12/h6-8,11,16H,4-5H2,1-3H3,(H,14,15)
InChIKeyWXOYRXWOXJHMEX-UHFFFAOYSA-N
XLogP2.97
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.20
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-(1-methoxy-3-methylbutan-2-yl)-3-methylpyridin-2-amine
CID 79718710
2-[(5-bromo-3-methyl-2-pyridinyl)amino]-3-methoxypropan-1-ol
CID 106186160
5-bromo-N-hexan-3-yl-3-methylpyridin-2-amine
CID 79718700
methyl 2-[(5-bromo-3-methyl-2-pyridinyl)amino]-3-methylbutanoate
CID 79718493
3-[(2-amino-5-bromopyrimidin-4-yl)amino]-4-methylpentan-1-ol
CID 106358212
3-[(5-bromo-2-chloropyrimidin-4-yl)amino]-4-methylpentan-1-ol
CID 106352563
1-N-(5-bromo-3-methyl-2-pyridinyl)pentane-1,4-diamine
CID 106127370
3-[(3-bromo-2-pyridinyl)amino]-4-methylpentan-1-ol
CID 106350440
4-methyl-3-[(5-methylpyrimidin-2-yl)amino]pentan-1-ol
CID 103858162
5-bromo-3-chloro-N-(2-methylpentan-3-yl)pyridin-2-amine
CID 103582444
5-chloro-6-[(1-hydroxy-4-methylpentan-3-yl)amino]pyridine-3-carboxylic acid
CID 114177015
(3R)-3-[(7-bromoquinolin-4-yl)amino]-4-methylpentan-1-ol
CID 96514670

Frequently Asked Questions

What is the IUPAC name of 3-[(5-bromo-3-methyl-2-pyridinyl)amino]-4-methylpentan-1-ol?
The IUPAC name of 3-[(5-bromo-3-methyl-2-pyridinyl)amino]-4-methylpentan-1-ol (CID 106350476) is 3-[(5-bromo-3-methyl-2-pyridinyl)amino]-4-methylpentan-1-ol.
What is the SMILES notation for 3-[(5-bromo-3-methyl-2-pyridinyl)amino]-4-methylpentan-1-ol?
The canonical SMILES for 3-[(5-bromo-3-methyl-2-pyridinyl)amino]-4-methylpentan-1-ol is Cc1cc(Br)cnc1NC(CCO)C(C)C.
What is the InChIKey of 3-[(5-bromo-3-methyl-2-pyridinyl)amino]-4-methylpentan-1-ol?
The InChIKey is WXOYRXWOXJHMEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN2O/c1-8(2)11(4-5-16)15-12-9(3)6-10(13)7-14-12/h6-8,11,16H,4-5H2,1-3H3,(H,14,15).
What are the key properties of 3-[(5-bromo-3-methyl-2-pyridinyl)amino]-4-methylpentan-1-ol?
3-[(5-bromo-3-methyl-2-pyridinyl)amino]-4-methylpentan-1-ol has a molecular weight of 287.20 g/mol, XLogP of 2.97, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-bromo-3-methyl-2-pyridinyl)amino]-4-methylpentan-1-ol is sourced from PubChem (CID 106350476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).