3-bromo-N-cyclobutyl-5-methylpyridin-2-amine

C10H13BrN2 — CID 105366896

IUPAC3-bromo-N-cyclobutyl-5-methylpyridin-2-amine
SMILESCc1cnc(NC2CCC2)c(Br)c1
InChIInChI=1S/C10H13BrN2/c1-7-5-9(11)10(12-6-7)13-8-3-2-4-8/h5-6,8H,2-4H2,1H3,(H,12,13)
InChIKeyISHTYXSNWQPBIT-UHFFFAOYSA-N
MW241.13 g/mol
LogP3.12
Rot. Bonds2

About 3-bromo-N-cyclobutyl-5-methylpyridin-2-amine

3-bromo-N-cyclobutyl-5-methylpyridin-2-amine (PubChem CID 105366896) has the molecular formula C10H13BrN2 and a molecular weight of 241.13 g/mol. Its IUPAC name is 3-bromo-N-cyclobutyl-5-methylpyridin-2-amine.

Molecular Properties

Compound Name3-bromo-N-cyclobutyl-5-methylpyridin-2-amine
PubChem CID105366896
Molecular FormulaC10H13BrN2
Molecular Weight241.13 g/mol
Exact Mass240.03
IUPAC Name3-bromo-N-cyclobutyl-5-methylpyridin-2-amine
SMILESCc1cnc(NC2CCC2)c(Br)c1
InChIInChI=1S/C10H13BrN2/c1-7-5-9(11)10(12-6-7)13-8-3-2-4-8/h5-6,8H,2-4H2,1H3,(H,12,13)
InChIKeyISHTYXSNWQPBIT-UHFFFAOYSA-N
XLogP3.12
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.13
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-N-(1,1-dioxothian-4-yl)-5-methylpyridin-2-amine
CID 105366729
N-(3-bromo-5-methyl-2-pyridinyl)azepan-3-amine
CID 105367341
3-bromo-2-N-cyclobutylpyridine-2,5-diamine
CID 79535634
ethyl 4-[(3-bromo-5-methyl-2-pyridinyl)amino]piperidine-1-carboxylate
CID 105366689
3-bromo-N-(1-cyclohexylethyl)-5-methylpyridin-2-amine
CID 105366898
tert-butyl N-[(1S,2S)-2-[(3-bromo-5-methyl-2-pyridinyl)amino]cyclopentyl]carbamate
CID 118317030
3-bromo-N-(cyclohexylmethyl)-5-methylpyridin-2-amine
CID 105366700
3-[(3-bromo-5-methyl-2-pyridinyl)amino]piperidine-2,6-dione
CID 105367016
N'-(3-bromo-5-methyl-2-pyridinyl)-N-cyclopropylpropane-1,3-diamine
CID 105367269
4-[(5-amino-3-bromo-2-pyridinyl)amino]cyclohexan-1-ol
CID 79531530
3-bromo-N-[(4S)-4-methoxypyrrolidin-3-yl]-5-methylpyridin-2-amine
CID 105367263
3-bromo-5-methyl-N-(pyrrolidin-3-ylmethyl)pyridin-2-amine
CID 105367397

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-cyclobutyl-5-methylpyridin-2-amine?
The IUPAC name of 3-bromo-N-cyclobutyl-5-methylpyridin-2-amine (CID 105366896) is 3-bromo-N-cyclobutyl-5-methylpyridin-2-amine.
What is the SMILES notation for 3-bromo-N-cyclobutyl-5-methylpyridin-2-amine?
The canonical SMILES for 3-bromo-N-cyclobutyl-5-methylpyridin-2-amine is Cc1cnc(NC2CCC2)c(Br)c1.
What is the InChIKey of 3-bromo-N-cyclobutyl-5-methylpyridin-2-amine?
The InChIKey is ISHTYXSNWQPBIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2/c1-7-5-9(11)10(12-6-7)13-8-3-2-4-8/h5-6,8H,2-4H2,1H3,(H,12,13).
What are the key properties of 3-bromo-N-cyclobutyl-5-methylpyridin-2-amine?
3-bromo-N-cyclobutyl-5-methylpyridin-2-amine has a molecular weight of 241.13 g/mol, XLogP of 3.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-cyclobutyl-5-methylpyridin-2-amine is sourced from PubChem (CID 105366896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).