5-bromo-4-tert-butylpyridin-2-amine;4-tert-butylpyridin-2-amine

C18H27BrN4 — CID 157188443

IUPAC5-bromo-4-tert-butylpyridin-2-amine;4-tert-butylpyridin-2-amine
SMILESCC(C)(C)c1cc(N)ncc1Br.CC(C)(C)c1ccnc(N)c1
InChIInChI=1S/C9H13BrN2.C9H14N2/c1-9(2,3)6-4-8(11)12-5-7(6)10;1-9(2,3)7-4-5-11-8(10)6-7/h4-5H,1-3H3,(H2,11,12);4-6H,1-3H3,(H2,10,11)
InChIKeyAPKGADHMYQJEQO-UHFFFAOYSA-N
MW379.35 g/mol
LogP4.69
Rot. Bonds

About 5-bromo-4-tert-butylpyridin-2-amine;4-tert-butylpyridin-2-amine

5-bromo-4-tert-butylpyridin-2-amine;4-tert-butylpyridin-2-amine (PubChem CID 157188443) has the molecular formula C18H27BrN4 and a molecular weight of 379.35 g/mol. Its IUPAC name is 5-bromo-4-tert-butylpyridin-2-amine;4-tert-butylpyridin-2-amine.

Molecular Properties

Compound Name5-bromo-4-tert-butylpyridin-2-amine;4-tert-butylpyridin-2-amine
PubChem CID157188443
Molecular FormulaC18H27BrN4
Molecular Weight379.35 g/mol
Exact Mass378.14
IUPAC Name5-bromo-4-tert-butylpyridin-2-amine;4-tert-butylpyridin-2-amine
SMILESCC(C)(C)c1cc(N)ncc1Br.CC(C)(C)c1ccnc(N)c1
InChIInChI=1S/C9H13BrN2.C9H14N2/c1-9(2,3)6-4-8(11)12-5-7(6)10;1-9(2,3)7-4-5-11-8(10)6-7/h4-5H,1-3H3,(H2,11,12);4-6H,1-3H3,(H2,10,11)
InChIKeyAPKGADHMYQJEQO-UHFFFAOYSA-N
XLogP4.69
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.35
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-Amino-5-bromo-4-methylpyridine
CID 817695
1-[16-(2-Amino-4-methylpyridin-1-ium-1-yl)hexadecyl]-4-methylpyridin-1-ium-2-amine dibromide
CID 24741727
1-[12-(2-Amino-5-methylpyridin-1-ium-1-yl)dodecyl]-5-methylpyridin-1-ium-2-amine dibromide
CID 24180577
1-[12-(2-Amino-4-methylpyridin-1-ium-1-yl)dodecyl]-4-methylpyridin-1-ium-2-amine dibromide
CID 24741957
5-Tert-butylpyridin-2-amine
CID 20587962
2-Amino-5-bromo-3-methylpyridine
CID 137934
2-Amino-3-bromo-5-methylpyridine
CID 519380
3-Amino-1-bromo-2,6-naphthyridine
CID 5043457
5-bromo-N-[4-(diethylamino)benzyl]-2-pyridinamine
CID 975753
1-[8-(2-Amino-4-methylpyridin-1-ium-1-yl)octyl]-4-methylpyridin-1-ium-2-amine dibromide
CID 24741725
N-[(4-bromophenyl)methyl]-4-methylpyridin-2-amine
CID 975672
1-[12-(2-Amino-3-methylpyridin-1-ium-1-yl)dodecyl]-3-methylpyridin-1-ium-2-amine dibromide
CID 24741729

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-tert-butylpyridin-2-amine;4-tert-butylpyridin-2-amine?
The IUPAC name of 5-bromo-4-tert-butylpyridin-2-amine;4-tert-butylpyridin-2-amine (CID 157188443) is 5-bromo-4-tert-butylpyridin-2-amine;4-tert-butylpyridin-2-amine.
What is the SMILES notation for 5-bromo-4-tert-butylpyridin-2-amine;4-tert-butylpyridin-2-amine?
The canonical SMILES for 5-bromo-4-tert-butylpyridin-2-amine;4-tert-butylpyridin-2-amine is CC(C)(C)c1cc(N)ncc1Br.CC(C)(C)c1ccnc(N)c1.
What is the InChIKey of 5-bromo-4-tert-butylpyridin-2-amine;4-tert-butylpyridin-2-amine?
The InChIKey is APKGADHMYQJEQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrN2.C9H14N2/c1-9(2,3)6-4-8(11)12-5-7(6)10;1-9(2,3)7-4-5-11-8(10)6-7/h4-5H,1-3H3,(H2,11,12);4-6H,1-3H3,(H2,10,11).
What are the key properties of 5-bromo-4-tert-butylpyridin-2-amine;4-tert-butylpyridin-2-amine?
5-bromo-4-tert-butylpyridin-2-amine;4-tert-butylpyridin-2-amine has a molecular weight of 379.35 g/mol, XLogP of 4.69, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-tert-butylpyridin-2-amine;4-tert-butylpyridin-2-amine is sourced from PubChem (CID 157188443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).