2-tert-butyl-5-chloropyridine;2-tert-butyl-6-chloropyridine;2-tert-butyl-3-methoxypyridine;2-tert-butyl-4-methoxypyridine;2-tert-butyl-4-methoxypyrimidine;4-tert-butyl-6-methoxypyrimidine;2-tert-butyl-4-methylpyridine;2-tert-butyl-5-methylpyridine;5-tert-butylpyrazin-2-amine;6-tert-butylpyridin-2-amine;6-tert-butylpyridin-3-amine;2-tert-butylpyridine;2-tert-butylpyridine-3-carbonitrile;6-tert-butylpyridine-3-carbonitrile;4-[(6-tert-butyl-3-pyridinyl)methyl]morpholine;2-tert-butylpyrimidin-4-amine

C153H225Cl2N27O5 — CID 157148621

IUPAC2-tert-butyl-5-chloropyridine;2-tert-butyl-6-chloropyridine;2-tert-butyl-3-methoxypyridine;2-tert-butyl-4-methoxypyridine;2-tert-butyl-4-methoxypyrimidine;4-tert-butyl-6-methoxypyrimidine;2-tert-butyl-4-methylpyridine;2-tert-butyl-5-methylpyridine;5-tert-butylpyrazin-2-amine;6-tert-butylpyridin-2-amine;6-tert-butylpyridin-3-amine;2-tert-butylpyridine;2-tert-butylpyridine-3-carbonitrile;6-tert-butylpyridine-3-carbonitrile;4-[(6-tert-butyl-3-pyridinyl)methyl]morpholine;2-tert-butylpyrimidin-4-amine
SMILESCC(C)(C)c1ccc(C#N)cn1.CC(C)(C)c1ccc(CN2CCOCC2)cn1.CC(C)(C)c1ccc(Cl)cn1.CC(C)(C)c1ccc(N)cn1.CC(C)(C)c1cccc(Cl)n1.CC(C)(C)c1cccc(N)n1.CC(C)(C)c1ccccn1.CC(C)(C)c1cnc(N)cn1.CC(C)(C)c1nccc(N)n1.CC(C)(C)c1ncccc1C#N.COc1cc(C(C)(C)C)ncn1.COc1cccnc1C(C)(C)C.COc1ccnc(C(C)(C)C)c1.COc1ccnc(C(C)(C)C)n1.Cc1ccc(C(C)(C)C)nc1.Cc1ccnc(C(C)(C)C)c1
InChIInChI=1S/C14H22N2O.2C10H12N2.2C10H15NO.2C10H15N.2C9H12ClN.2C9H14N2O.2C9H14N2.C9H13N.2C8H13N3/c1-14(2,3)13-5-4-12(10-15-13)11-16-6-8-17-9-7-16;1-10(2,3)9-5-4-8(6-11)7-12-9;1-10(2,3)9-8(7-11)5-4-6-12-9;1-10(2,3)9-7-8(12-4)5-6-11-9;1-10(2,3)9-8(12-4)6-5-7-11-9;1-8-5-6-11-9(7-8)10(2,3)4;1-8-5-6-9(11-7-8)10(2,3)4;1-9(2,3)8-5-4-7(10)6-11-8;1-9(2,3)7-5-4-6-8(10)11-7;1-9(2,3)7-5-8(12-4)11-6-10-7;1-9(2,3)8-10-6-5-7(11-8)12-4;1-9(2,3)8-5-4-7(10)6-11-8;1-9(2,3)7-5-4-6-8(10)11-7;1-9(2,3)8-6-4-5-7-10-8;1-8(2,3)6-4-11-7(9)5-10-6;1-8(2,3)7-10-5-4-6(9)11-7/h4-5,10H,6-9,11H2,1-3H3;4-5,7H,1-3H3;4-6H,1-3H3;2*5-7H,1-4H3;2*5-7H,1-4H3;2*4-6H,1-3H3;2*5-6H,1-4H3;4-6H,10H2,1-3H3;4-6H,1-3H3,(H2,10,11);4-7H,1-3H3;4-5H,1-3H3,(H2,9,11);4-5H,1-3H3,(H2,9,10,11)
InChIKeyAKZMTIHRBLMXPJ-UHFFFAOYSA-N
MW2593.57 g/mol
LogP35.51
Rot. Bonds6

About 2-tert-butyl-5-chloropyridine;2-tert-butyl-6-chloropyridine;2-tert-butyl-3-methoxypyridine;2-tert-butyl-4-methoxypyridine;2-tert-butyl-4-methoxypyrimidine;4-tert-butyl-6-methoxypyrimidine;2-tert-butyl-4-methylpyridine;2-tert-butyl-5-methylpyridine;5-tert-butylpyrazin-2-amine;6-tert-butylpyridin-2-amine;6-tert-butylpyridin-3-amine;2-tert-butylpyridine;2-tert-butylpyridine-3-carbonitrile;6-tert-butylpyridine-3-carbonitrile;4-[(6-tert-butyl-3-pyridinyl)methyl]morpholine;2-tert-butylpyrimidin-4-amine

2-tert-butyl-5-chloropyridine;2-tert-butyl-6-chloropyridine;2-tert-butyl-3-methoxypyridine;2-tert-butyl-4-methoxypyridine;2-tert-butyl-4-methoxypyrimidine;4-tert-butyl-6-methoxypyrimidine;2-tert-butyl-4-methylpyridine;2-tert-butyl-5-methylpyridine;5-tert-butylpyrazin-2-amine;6-tert-butylpyridin-2-amine;6-tert-butylpyridin-3-amine;2-tert-butylpyridine;2-tert-butylpyridine-3-carbonitrile;6-tert-butylpyridine-3-carbonitrile;4-[(6-tert-butyl-3-pyridinyl)methyl]morpholine;2-tert-butylpyrimidin-4-amine (PubChem CID 157148621) has the molecular formula C153H225Cl2N27O5 and a molecular weight of 2593.57 g/mol. Its IUPAC name is 2-tert-butyl-5-chloropyridine;2-tert-butyl-6-chloropyridine;2-tert-butyl-3-methoxypyridine;2-tert-butyl-4-methoxypyridine;2-tert-butyl-4-methoxypyrimidine;4-tert-butyl-6-methoxypyrimidine;2-tert-butyl-4-methylpyridine;2-tert-butyl-5-methylpyridine;5-tert-butylpyrazin-2-amine;6-tert-butylpyridin-2-amine;6-tert-butylpyridin-3-amine;2-tert-butylpyridine;2-tert-butylpyridine-3-carbonitrile;6-tert-butylpyridine-3-carbonitrile;4-[(6-tert-butyl-3-pyridinyl)methyl]morpholine;2-tert-butylpyrimidin-4-amine.

Molecular Properties

Compound Name2-tert-butyl-5-chloropyridine;2-tert-butyl-6-chloropyridine;2-tert-butyl-3-methoxypyridine;2-tert-butyl-4-methoxypyridine;2-tert-butyl-4-methoxypyrimidine;4-tert-butyl-6-methoxypyrimidine;2-tert-butyl-4-methylpyridine;2-tert-butyl-5-methylpyridine;5-tert-butylpyrazin-2-amine;6-tert-butylpyridin-2-amine;6-tert-butylpyridin-3-amine;2-tert-butylpyridine;2-tert-butylpyridine-3-carbonitrile;6-tert-butylpyridine-3-carbonitrile;4-[(6-tert-butyl-3-pyridinyl)methyl]morpholine;2-tert-butylpyrimidin-4-amine
PubChem CID157148621
Molecular FormulaC153H225Cl2N27O5
Molecular Weight2593.57 g/mol
Exact Mass2590.76
IUPAC Name2-tert-butyl-5-chloropyridine;2-tert-butyl-6-chloropyridine;2-tert-butyl-3-methoxypyridine;2-tert-butyl-4-methoxypyridine;2-tert-butyl-4-methoxypyrimidine;4-tert-butyl-6-methoxypyrimidine;2-tert-butyl-4-methylpyridine;2-tert-butyl-5-methylpyridine;5-tert-butylpyrazin-2-amine;6-tert-butylpyridin-2-amine;6-tert-butylpyridin-3-amine;2-tert-butylpyridine;2-tert-butylpyridine-3-carbonitrile;6-tert-butylpyridine-3-carbonitrile;4-[(6-tert-butyl-3-pyridinyl)methyl]morpholine;2-tert-butylpyrimidin-4-amine
SMILESCC(C)(C)c1ccc(C#N)cn1.CC(C)(C)c1ccc(CN2CCOCC2)cn1.CC(C)(C)c1ccc(Cl)cn1.CC(C)(C)c1ccc(N)cn1.CC(C)(C)c1cccc(Cl)n1.CC(C)(C)c1cccc(N)n1.CC(C)(C)c1ccccn1.CC(C)(C)c1cnc(N)cn1.CC(C)(C)c1nccc(N)n1.CC(C)(C)c1ncccc1C#N.COc1cc(C(C)(C)C)ncn1.COc1cccnc1C(C)(C)C.COc1ccnc(C(C)(C)C)c1.COc1ccnc(C(C)(C)C)n1.Cc1ccc(C(C)(C)C)nc1.Cc1ccnc(C(C)(C)C)c1
InChIInChI=1S/C14H22N2O.2C10H12N2.2C10H15NO.2C10H15N.2C9H12ClN.2C9H14N2O.2C9H14N2.C9H13N.2C8H13N3/c1-14(2,3)13-5-4-12(10-15-13)11-16-6-8-17-9-7-16;1-10(2,3)9-5-4-8(6-11)7-12-9;1-10(2,3)9-8(7-11)5-4-6-12-9;1-10(2,3)9-7-8(12-4)5-6-11-9;1-10(2,3)9-8(12-4)6-5-7-11-9;1-8-5-6-11-9(7-8)10(2,3)4;1-8-5-6-9(11-7-8)10(2,3)4;1-9(2,3)8-5-4-7(10)6-11-8;1-9(2,3)7-5-4-6-8(10)11-7;1-9(2,3)7-5-8(12-4)11-6-10-7;1-9(2,3)8-10-6-5-7(11-8)12-4;1-9(2,3)8-5-4-7(10)6-11-8;1-9(2,3)7-5-4-6-8(10)11-7;1-9(2,3)8-6-4-5-7-10-8;1-8(2,3)6-4-11-7(9)5-10-6;1-8(2,3)7-10-5-4-6(9)11-7/h4-5,10H,6-9,11H2,1-3H3;4-5,7H,1-3H3;4-6H,1-3H3;2*5-7H,1-4H3;2*5-7H,1-4H3;2*4-6H,1-3H3;2*5-6H,1-4H3;4-6H,10H2,1-3H3;4-6H,1-3H3,(H2,10,11);4-7H,1-3H3;4-5H,1-3H3,(H2,9,11);4-5H,1-3H3,(H2,9,10,11)
InChIKeyAKZMTIHRBLMXPJ-UHFFFAOYSA-N
XLogP35.51
TPSA458.85 Ų
H-Bond Donors4
H-Bond Acceptors32
Rotatable Bonds6
Heavy Atoms187
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002593.57
LogP ≤ 535.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1032

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2-tert-butyl-5-chloropyridine;2-tert-butyl-6-chloropyridine;2-tert-butyl-3-methoxypyridine;2-tert-butyl-4-methoxypyridine;2-tert-butyl-4-methoxypyrimidine;4-tert-butyl-6-methoxypyrimidine;2-tert-butyl-4-methylpyridine;2-tert-butyl-5-methylpyridine;5-tert-butylpyrazin-2-amine;6-tert-butylpyridin-2-amine;6-tert-butylpyridin-3-amine;2-tert-butylpyridine;2-tert-butylpyridine-3-carbonitrile;6-tert-butylpyridine-3-carbonitrile;4-[(6-tert-butyl-3-pyridinyl)methyl]morpholine;2-tert-butylpyrimidin-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-chloropyridine;2-tert-butyl-6-chloropyridine;2-tert-butyl-3-methoxypyridine;2-tert-butyl-4-methoxypyridine;2-tert-butyl-4-methoxypyrimidine;4-tert-butyl-6-methoxypyrimidine;2-tert-butyl-4-methylpyridine;2-tert-butyl-5-methylpyridine;5-tert-butylpyrazin-2-amine;6-tert-butylpyridin-2-amine;6-tert-butylpyridin-3-amine;2-tert-butylpyridine;2-tert-butylpyridine-3-carbonitrile;6-tert-butylpyridine-3-carbonitrile;4-[(6-tert-butyl-3-pyridinyl)methyl]morpholine;2-tert-butylpyrimidin-4-amine?
The IUPAC name of 2-tert-butyl-5-chloropyridine;2-tert-butyl-6-chloropyridine;2-tert-butyl-3-methoxypyridine;2-tert-butyl-4-methoxypyridine;2-tert-butyl-4-methoxypyrimidine;4-tert-butyl-6-methoxypyrimidine;2-tert-butyl-4-methylpyridine;2-tert-butyl-5-methylpyridine;5-tert-butylpyrazin-2-amine;6-tert-butylpyridin-2-amine;6-tert-butylpyridin-3-amine;2-tert-butylpyridine;2-tert-butylpyridine-3-carbonitrile;6-tert-butylpyridine-3-carbonitrile;4-[(6-tert-butyl-3-pyridinyl)methyl]morpholine;2-tert-butylpyrimidin-4-amine (CID 157148621) is 2-tert-butyl-5-chloropyridine;2-tert-butyl-6-chloropyridine;2-tert-butyl-3-methoxypyridine;2-tert-butyl-4-methoxypyridine;2-tert-butyl-4-methoxypyrimidine;4-tert-butyl-6-methoxypyrimidine;2-tert-butyl-4-methylpyridine;2-tert-butyl-5-methylpyridine;5-tert-butylpyrazin-2-amine;6-tert-butylpyridin-2-amine;6-tert-butylpyridin-3-amine;2-tert-butylpyridine;2-tert-butylpyridine-3-carbonitrile;6-tert-butylpyridine-3-carbonitrile;4-[(6-tert-butyl-3-pyridinyl)methyl]morpholine;2-tert-butylpyrimidin-4-amine.
What is the SMILES notation for 2-tert-butyl-5-chloropyridine;2-tert-butyl-6-chloropyridine;2-tert-butyl-3-methoxypyridine;2-tert-butyl-4-methoxypyridine;2-tert-butyl-4-methoxypyrimidine;4-tert-butyl-6-methoxypyrimidine;2-tert-butyl-4-methylpyridine;2-tert-butyl-5-methylpyridine;5-tert-butylpyrazin-2-amine;6-tert-butylpyridin-2-amine;6-tert-butylpyridin-3-amine;2-tert-butylpyridine;2-tert-butylpyridine-3-carbonitrile;6-tert-butylpyridine-3-carbonitrile;4-[(6-tert-butyl-3-pyridinyl)methyl]morpholine;2-tert-butylpyrimidin-4-amine?
The canonical SMILES for 2-tert-butyl-5-chloropyridine;2-tert-butyl-6-chloropyridine;2-tert-butyl-3-methoxypyridine;2-tert-butyl-4-methoxypyridine;2-tert-butyl-4-methoxypyrimidine;4-tert-butyl-6-methoxypyrimidine;2-tert-butyl-4-methylpyridine;2-tert-butyl-5-methylpyridine;5-tert-butylpyrazin-2-amine;6-tert-butylpyridin-2-amine;6-tert-butylpyridin-3-amine;2-tert-butylpyridine;2-tert-butylpyridine-3-carbonitrile;6-tert-butylpyridine-3-carbonitrile;4-[(6-tert-butyl-3-pyridinyl)methyl]morpholine;2-tert-butylpyrimidin-4-amine is CC(C)(C)c1ccc(C#N)cn1.CC(C)(C)c1ccc(CN2CCOCC2)cn1.CC(C)(C)c1ccc(Cl)cn1.CC(C)(C)c1ccc(N)cn1.CC(C)(C)c1cccc(Cl)n1.CC(C)(C)c1cccc(N)n1.CC(C)(C)c1ccccn1.CC(C)(C)c1cnc(N)cn1.CC(C)(C)c1nccc(N)n1.CC(C)(C)c1ncccc1C#N.COc1cc(C(C)(C)C)ncn1.COc1cccnc1C(C)(C)C.COc1ccnc(C(C)(C)C)c1.COc1ccnc(C(C)(C)C)n1.Cc1ccc(C(C)(C)C)nc1.Cc1ccnc(C(C)(C)C)c1.
What is the InChIKey of 2-tert-butyl-5-chloropyridine;2-tert-butyl-6-chloropyridine;2-tert-butyl-3-methoxypyridine;2-tert-butyl-4-methoxypyridine;2-tert-butyl-4-methoxypyrimidine;4-tert-butyl-6-methoxypyrimidine;2-tert-butyl-4-methylpyridine;2-tert-butyl-5-methylpyridine;5-tert-butylpyrazin-2-amine;6-tert-butylpyridin-2-amine;6-tert-butylpyridin-3-amine;2-tert-butylpyridine;2-tert-butylpyridine-3-carbonitrile;6-tert-butylpyridine-3-carbonitrile;4-[(6-tert-butyl-3-pyridinyl)methyl]morpholine;2-tert-butylpyrimidin-4-amine?
The InChIKey is AKZMTIHRBLMXPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O.2C10H12N2.2C10H15NO.2C10H15N.2C9H12ClN.2C9H14N2O.2C9H14N2.C9H13N.2C8H13N3/c1-14(2,3)13-5-4-12(10-15-13)11-16-6-8-17-9-7-16;1-10(2,3)9-5-4-8(6-11)7-12-9;1-10(2,3)9-8(7-11)5-4-6-12-9;1-10(2,3)9-7-8(12-4)5-6-11-9;1-10(2,3)9-8(12-4)6-5-7-11-9;1-8-5-6-11-9(7-8)10(2,3)4;1-8-5-6-9(11-7-8)10(2,3)4;1-9(2,3)8-5-4-7(10)6-11-8;1-9(2,3)7-5-4-6-8(10)11-7;1-9(2,3)7-5-8(12-4)11-6-10-7;1-9(2,3)8-10-6-5-7(11-8)12-4;1-9(2,3)8-5-4-7(10)6-11-8;1-9(2,3)7-5-4-6-8(10)11-7;1-9(2,3)8-6-4-5-7-10-8;1-8(2,3)6-4-11-7(9)5-10-6;1-8(2,3)7-10-5-4-6(9)11-7/h4-5,10H,6-9,11H2,1-3H3;4-5,7H,1-3H3;4-6H,1-3H3;2*5-7H,1-4H3;2*5-7H,1-4H3;2*4-6H,1-3H3;2*5-6H,1-4H3;4-6H,10H2,1-3H3;4-6H,1-3H3,(H2,10,11);4-7H,1-3H3;4-5H,1-3H3,(H2,9,11);4-5H,1-3H3,(H2,9,10,11).
What are the key properties of 2-tert-butyl-5-chloropyridine;2-tert-butyl-6-chloropyridine;2-tert-butyl-3-methoxypyridine;2-tert-butyl-4-methoxypyridine;2-tert-butyl-4-methoxypyrimidine;4-tert-butyl-6-methoxypyrimidine;2-tert-butyl-4-methylpyridine;2-tert-butyl-5-methylpyridine;5-tert-butylpyrazin-2-amine;6-tert-butylpyridin-2-amine;6-tert-butylpyridin-3-amine;2-tert-butylpyridine;2-tert-butylpyridine-3-carbonitrile;6-tert-butylpyridine-3-carbonitrile;4-[(6-tert-butyl-3-pyridinyl)methyl]morpholine;2-tert-butylpyrimidin-4-amine?
2-tert-butyl-5-chloropyridine;2-tert-butyl-6-chloropyridine;2-tert-butyl-3-methoxypyridine;2-tert-butyl-4-methoxypyridine;2-tert-butyl-4-methoxypyrimidine;4-tert-butyl-6-methoxypyrimidine;2-tert-butyl-4-methylpyridine;2-tert-butyl-5-methylpyridine;5-tert-butylpyrazin-2-amine;6-tert-butylpyridin-2-amine;6-tert-butylpyridin-3-amine;2-tert-butylpyridine;2-tert-butylpyridine-3-carbonitrile;6-tert-butylpyridine-3-carbonitrile;4-[(6-tert-butyl-3-pyridinyl)methyl]morpholine;2-tert-butylpyrimidin-4-amine has a molecular weight of 2593.57 g/mol, XLogP of 35.51, 6 rotatable bonds, 4 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-chloropyridine;2-tert-butyl-6-chloropyridine;2-tert-butyl-3-methoxypyridine;2-tert-butyl-4-methoxypyridine;2-tert-butyl-4-methoxypyrimidine;4-tert-butyl-6-methoxypyrimidine;2-tert-butyl-4-methylpyridine;2-tert-butyl-5-methylpyridine;5-tert-butylpyrazin-2-amine;6-tert-butylpyridin-2-amine;6-tert-butylpyridin-3-amine;2-tert-butylpyridine;2-tert-butylpyridine-3-carbonitrile;6-tert-butylpyridine-3-carbonitrile;4-[(6-tert-butyl-3-pyridinyl)methyl]morpholine;2-tert-butylpyrimidin-4-amine is sourced from PubChem (CID 157148621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).