3-[(5-bromo-3-methyl-2-pyridinyl)amino]-2,2-dimethylcyclobutan-1-ol

C12H17BrN2O — CID 114630263

IUPAC3-[(5-bromo-3-methyl-2-pyridinyl)amino]-2,2-dimethylcyclobutan-1-ol
SMILESCc1cc(Br)cnc1NC1CC(O)C1(C)C
InChIInChI=1S/C12H17BrN2O/c1-7-4-8(13)6-14-11(7)15-9-5-10(16)12(9,2)3/h4,6,9-10,16H,5H2,1-3H3,(H,14,15)
InChIKeyBLAGDPUPHBNZBR-UHFFFAOYSA-N
MW285.19 g/mol
LogP2.72
Rot. Bonds2

About 3-[(5-bromo-3-methyl-2-pyridinyl)amino]-2,2-dimethylcyclobutan-1-ol

3-[(5-bromo-3-methyl-2-pyridinyl)amino]-2,2-dimethylcyclobutan-1-ol (PubChem CID 114630263) has the molecular formula C12H17BrN2O and a molecular weight of 285.19 g/mol. Its IUPAC name is 3-[(5-bromo-3-methyl-2-pyridinyl)amino]-2,2-dimethylcyclobutan-1-ol.

Molecular Properties

Compound Name3-[(5-bromo-3-methyl-2-pyridinyl)amino]-2,2-dimethylcyclobutan-1-ol
PubChem CID114630263
Molecular FormulaC12H17BrN2O
Molecular Weight285.19 g/mol
Exact Mass284.05
IUPAC Name3-[(5-bromo-3-methyl-2-pyridinyl)amino]-2,2-dimethylcyclobutan-1-ol
SMILESCc1cc(Br)cnc1NC1CC(O)C1(C)C
InChIInChI=1S/C12H17BrN2O/c1-7-4-8(13)6-14-11(7)15-9-5-10(16)12(9,2)3/h4,6,9-10,16H,5H2,1-3H3,(H,14,15)
InChIKeyBLAGDPUPHBNZBR-UHFFFAOYSA-N
XLogP2.72
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.19
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3,5-dibromo-2-pyridinyl)amino]-2,2-dimethylcyclobutan-1-ol
CID 114630231
3-[(3-bromo-4-methyl-5-nitro-2-pyridinyl)amino]-2,2-dimethylcyclobutan-1-ol
CID 114630234
3-(4-bromo-2-methoxy-6-methylanilino)-2,2-dimethylcyclobutan-1-ol
CID 112633798
2,2-dimethyl-3-[(5-methyl-3-pyridinyl)amino]cyclobutan-1-ol
CID 103952292
2,2-dimethyl-3-[(6-methyl-3-pyridinyl)amino]cyclobutan-1-ol
CID 112634209
3-(2-bromo-5-chloro-4-methylanilino)-2,2-dimethylcyclobutan-1-ol
CID 104722941
3-[(2-amino-5-chloropyrimidin-4-yl)amino]-2,2-dimethylcyclobutan-1-ol
CID 114632994
1-N-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-2,2-dimethylcyclobutane-1,3-diamine
CID 106797289
3-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-2,2-dimethylcyclobutan-1-ol
CID 114630356
N-[1-(1-adamantyl)ethyl]-5-bromo-3-methylpyridin-2-amine
CID 79713637
2-[[(5-bromo-3-methyl-2-pyridinyl)amino]methyl]cyclohexan-1-ol
CID 79718302
3-[(3-amino-6-methyl-2-pyridinyl)amino]-2,2-dimethylcyclobutan-1-ol
CID 114628760

Frequently Asked Questions

What is the IUPAC name of 3-[(5-bromo-3-methyl-2-pyridinyl)amino]-2,2-dimethylcyclobutan-1-ol?
The IUPAC name of 3-[(5-bromo-3-methyl-2-pyridinyl)amino]-2,2-dimethylcyclobutan-1-ol (CID 114630263) is 3-[(5-bromo-3-methyl-2-pyridinyl)amino]-2,2-dimethylcyclobutan-1-ol.
What is the SMILES notation for 3-[(5-bromo-3-methyl-2-pyridinyl)amino]-2,2-dimethylcyclobutan-1-ol?
The canonical SMILES for 3-[(5-bromo-3-methyl-2-pyridinyl)amino]-2,2-dimethylcyclobutan-1-ol is Cc1cc(Br)cnc1NC1CC(O)C1(C)C.
What is the InChIKey of 3-[(5-bromo-3-methyl-2-pyridinyl)amino]-2,2-dimethylcyclobutan-1-ol?
The InChIKey is BLAGDPUPHBNZBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O/c1-7-4-8(13)6-14-11(7)15-9-5-10(16)12(9,2)3/h4,6,9-10,16H,5H2,1-3H3,(H,14,15).
What are the key properties of 3-[(5-bromo-3-methyl-2-pyridinyl)amino]-2,2-dimethylcyclobutan-1-ol?
3-[(5-bromo-3-methyl-2-pyridinyl)amino]-2,2-dimethylcyclobutan-1-ol has a molecular weight of 285.19 g/mol, XLogP of 2.72, 2 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]-2,2-dimethylcyclobutan-1-ol is sourced from PubChem (CID 114630263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).