5-tert-butyl-3-chloropyridin-2-amine;6-tert-butyl-3-chloropyridin-2-amine;5-tert-butylpyridin-2-amine;6-tert-butylpyridin-2-amine

C36H54Cl2N8 — CID 165039587

IUPAC5-tert-butyl-3-chloropyridin-2-amine;6-tert-butyl-3-chloropyridin-2-amine;5-tert-butylpyridin-2-amine;6-tert-butylpyridin-2-amine
SMILESCC(C)(C)c1ccc(Cl)c(N)n1.CC(C)(C)c1ccc(N)nc1.CC(C)(C)c1cccc(N)n1.CC(C)(C)c1cnc(N)c(Cl)c1
InChIInChI=1S/2C9H13ClN2.2C9H14N2/c1-9(2,3)6-4-7(10)8(11)12-5-6;1-9(2,3)7-5-4-6(10)8(11)12-7;1-9(2,3)7-4-5-8(10)11-6-7;1-9(2,3)7-5-4-6-8(10)11-7/h2*4-5H,1-3H3,(H2,11,12);2*4-6H,1-3H3,(H2,10,11)
InChIKeyNXIQACLTBAKBAI-UHFFFAOYSA-N
MW669.79 g/mol
LogP9.15
Rot. Bonds

About 5-tert-butyl-3-chloropyridin-2-amine;6-tert-butyl-3-chloropyridin-2-amine;5-tert-butylpyridin-2-amine;6-tert-butylpyridin-2-amine

5-tert-butyl-3-chloropyridin-2-amine;6-tert-butyl-3-chloropyridin-2-amine;5-tert-butylpyridin-2-amine;6-tert-butylpyridin-2-amine (PubChem CID 165039587) has the molecular formula C36H54Cl2N8 and a molecular weight of 669.79 g/mol. Its IUPAC name is 5-tert-butyl-3-chloropyridin-2-amine;6-tert-butyl-3-chloropyridin-2-amine;5-tert-butylpyridin-2-amine;6-tert-butylpyridin-2-amine.

Molecular Properties

Compound Name5-tert-butyl-3-chloropyridin-2-amine;6-tert-butyl-3-chloropyridin-2-amine;5-tert-butylpyridin-2-amine;6-tert-butylpyridin-2-amine
PubChem CID165039587
Molecular FormulaC36H54Cl2N8
Molecular Weight669.79 g/mol
Exact Mass668.38
IUPAC Name5-tert-butyl-3-chloropyridin-2-amine;6-tert-butyl-3-chloropyridin-2-amine;5-tert-butylpyridin-2-amine;6-tert-butylpyridin-2-amine
SMILESCC(C)(C)c1ccc(Cl)c(N)n1.CC(C)(C)c1ccc(N)nc1.CC(C)(C)c1cccc(N)n1.CC(C)(C)c1cnc(N)c(Cl)c1
InChIInChI=1S/2C9H13ClN2.2C9H14N2/c1-9(2,3)6-4-7(10)8(11)12-5-6;1-9(2,3)7-5-4-6(10)8(11)12-7;1-9(2,3)7-4-5-8(10)11-6-7;1-9(2,3)7-5-4-6-8(10)11-7/h2*4-5H,1-3H3,(H2,11,12);2*4-6H,1-3H3,(H2,10,11)
InChIKeyNXIQACLTBAKBAI-UHFFFAOYSA-N
XLogP9.15
TPSA155.64 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500669.79
LogP ≤ 59.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Launch Full Analysis

Related Compounds

6,6'-(Pyridine-3,5-Diyldiethane-2,1-Diyl)bis(4-Methylpyridin-2-Amine)
CID 46847260
6-(2-{5-[2-(2-Amino-6-Methylpyridin-4-Yl)ethyl]pyridin-3-Yl}ethyl)-4-Methylpyridin-2-Amine
CID 46892823
4-N-[5-chloro-4-[6-[(5-fluoro-3-pyridinyl)methylamino]-2-pyridinyl]-2-pyridinyl]cyclohexane-1,4-diamine
CID 50908322
5'-chloro-N6-(3-fluorobenzyl)-N2'-(piperidin-4-yl)-2,4'-bipyridine-2',6-diamine
CID 60142135
5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-N-[2-[(3R)-piperidin-3-yl]ethyl]pyridin-2-amine
CID 66936931
5'-chloro-N6-(3-fluorobenzyl)-N2'-methyl-2,4'-bipyridine-2',6-diamine
CID 66937018
5-chloro-4-[6-(cyclohexylmethylamino)-2-pyridinyl]-N-[(3R)-piperidin-3-yl]pyridin-2-amine
CID 68405100
4-N-[4-[6-[benzyl(methyl)amino]-2-pyridinyl]-5-chloro-2-pyridinyl]cyclohexane-1,4-diamine
CID 68405339
N-[4-(aminomethyl)cyclohexyl]-5-chloro-4-[6-(pyridin-3-ylmethylamino)-2-pyridinyl]pyridin-2-amine
CID 68405340
5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-N-[(1-methylpiperidin-4-yl)methyl]pyridin-2-amine
CID 68405343
5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-N-(piperidin-4-ylmethyl)pyridin-2-amine
CID 68405344
4-N-[5-chloro-4-[6-(pyridin-3-ylmethylamino)-2-pyridinyl]-2-pyridinyl]cyclohexane-1,4-diamine
CID 68405479

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-3-chloropyridin-2-amine;6-tert-butyl-3-chloropyridin-2-amine;5-tert-butylpyridin-2-amine;6-tert-butylpyridin-2-amine?
The IUPAC name of 5-tert-butyl-3-chloropyridin-2-amine;6-tert-butyl-3-chloropyridin-2-amine;5-tert-butylpyridin-2-amine;6-tert-butylpyridin-2-amine (CID 165039587) is 5-tert-butyl-3-chloropyridin-2-amine;6-tert-butyl-3-chloropyridin-2-amine;5-tert-butylpyridin-2-amine;6-tert-butylpyridin-2-amine.
What is the SMILES notation for 5-tert-butyl-3-chloropyridin-2-amine;6-tert-butyl-3-chloropyridin-2-amine;5-tert-butylpyridin-2-amine;6-tert-butylpyridin-2-amine?
The canonical SMILES for 5-tert-butyl-3-chloropyridin-2-amine;6-tert-butyl-3-chloropyridin-2-amine;5-tert-butylpyridin-2-amine;6-tert-butylpyridin-2-amine is CC(C)(C)c1ccc(Cl)c(N)n1.CC(C)(C)c1ccc(N)nc1.CC(C)(C)c1cccc(N)n1.CC(C)(C)c1cnc(N)c(Cl)c1.
What is the InChIKey of 5-tert-butyl-3-chloropyridin-2-amine;6-tert-butyl-3-chloropyridin-2-amine;5-tert-butylpyridin-2-amine;6-tert-butylpyridin-2-amine?
The InChIKey is NXIQACLTBAKBAI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H13ClN2.2C9H14N2/c1-9(2,3)6-4-7(10)8(11)12-5-6;1-9(2,3)7-5-4-6(10)8(11)12-7;1-9(2,3)7-4-5-8(10)11-6-7;1-9(2,3)7-5-4-6-8(10)11-7/h2*4-5H,1-3H3,(H2,11,12);2*4-6H,1-3H3,(H2,10,11).
What are the key properties of 5-tert-butyl-3-chloropyridin-2-amine;6-tert-butyl-3-chloropyridin-2-amine;5-tert-butylpyridin-2-amine;6-tert-butylpyridin-2-amine?
5-tert-butyl-3-chloropyridin-2-amine;6-tert-butyl-3-chloropyridin-2-amine;5-tert-butylpyridin-2-amine;6-tert-butylpyridin-2-amine has a molecular weight of 669.79 g/mol, XLogP of 9.15, 0 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-3-chloropyridin-2-amine;6-tert-butyl-3-chloropyridin-2-amine;5-tert-butylpyridin-2-amine;6-tert-butylpyridin-2-amine is sourced from PubChem (CID 165039587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).