5-bromo-N-[(2S)-butan-2-yl]-4-methylpyridin-2-amine

C10H15BrN2 — CID 86323877

IUPAC5-bromo-N-[(2S)-butan-2-yl]-4-methylpyridin-2-amine
SMILESCC[C@H](C)Nc1cc(C)c(Br)cn1
InChIInChI=1S/C10H15BrN2/c1-4-8(3)13-10-5-7(2)9(11)6-12-10/h5-6,8H,4H2,1-3H3,(H,12,13)/t8-/m0/s1
InChIKeyXQOMYTJOOJEOEN-QMMMGPOBSA-N
MW243.15 g/mol
LogP3.36
Rot. Bonds3

About 5-bromo-N-[(2S)-butan-2-yl]-4-methylpyridin-2-amine

5-bromo-N-[(2S)-butan-2-yl]-4-methylpyridin-2-amine (PubChem CID 86323877) has the molecular formula C10H15BrN2 and a molecular weight of 243.15 g/mol. Its IUPAC name is 5-bromo-N-[(2S)-butan-2-yl]-4-methylpyridin-2-amine.

Molecular Properties

Compound Name5-bromo-N-[(2S)-butan-2-yl]-4-methylpyridin-2-amine
PubChem CID86323877
Molecular FormulaC10H15BrN2
Molecular Weight243.15 g/mol
Exact Mass242.04
IUPAC Name5-bromo-N-[(2S)-butan-2-yl]-4-methylpyridin-2-amine
SMILESCC[C@H](C)Nc1cc(C)c(Br)cn1
InChIInChI=1S/C10H15BrN2/c1-4-8(3)13-10-5-7(2)9(11)6-12-10/h5-6,8H,4H2,1-3H3,(H,12,13)/t8-/m0/s1
InChIKeyXQOMYTJOOJEOEN-QMMMGPOBSA-N
XLogP3.36
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.15
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-4-methyl-N-(2-methylpentan-3-yl)pyridin-2-amine
CID 114869215
3-[(5-bromo-4-methyl-2-pyridinyl)amino]butan-1-ol
CID 115774135
5-bromo-4-methyl-N-[(2S)-1,1,1-trifluorobutan-2-yl]pyridin-2-amine
CID 157426912
2-N-(5-bromo-4-methyl-2-pyridinyl)-3-methylbutane-1,2-diamine
CID 114869550
5-bromo-N-[1-(furan-2-yl)propan-2-yl]-4-methylpyridin-2-amine
CID 115773907
5-bromo-N-(1-cyclopropylethyl)-4-methylpyridin-2-amine
CID 115773894
3-N-(5-bromo-4-methyl-2-pyridinyl)-4-methylpentane-1,3-diamine
CID 106357544
1-[(5-bromo-4-methyl-2-pyridinyl)amino]butan-2-ol
CID 114869387
2-[(5-bromo-4-methyl-2-pyridinyl)amino]-4-methylpentanoic acid
CID 122062511
5-bromo-N-(1-cyclohexylethyl)-4-methylpyridin-2-amine
CID 114869260
5-bromo-N-[1-(3-bromophenyl)ethyl]-4-methylpyridin-2-amine
CID 114869184
1-N-(5-bromo-4-methyl-2-pyridinyl)-3-methylbutane-1,2-diamine
CID 114869545

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(2S)-butan-2-yl]-4-methylpyridin-2-amine?
The IUPAC name of 5-bromo-N-[(2S)-butan-2-yl]-4-methylpyridin-2-amine (CID 86323877) is 5-bromo-N-[(2S)-butan-2-yl]-4-methylpyridin-2-amine.
What is the SMILES notation for 5-bromo-N-[(2S)-butan-2-yl]-4-methylpyridin-2-amine?
The canonical SMILES for 5-bromo-N-[(2S)-butan-2-yl]-4-methylpyridin-2-amine is CC[C@H](C)Nc1cc(C)c(Br)cn1.
What is the InChIKey of 5-bromo-N-[(2S)-butan-2-yl]-4-methylpyridin-2-amine?
The InChIKey is XQOMYTJOOJEOEN-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H15BrN2/c1-4-8(3)13-10-5-7(2)9(11)6-12-10/h5-6,8H,4H2,1-3H3,(H,12,13)/t8-/m0/s1.
What are the key properties of 5-bromo-N-[(2S)-butan-2-yl]-4-methylpyridin-2-amine?
5-bromo-N-[(2S)-butan-2-yl]-4-methylpyridin-2-amine has a molecular weight of 243.15 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(2S)-butan-2-yl]-4-methylpyridin-2-amine is sourced from PubChem (CID 86323877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).